967	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:1:1:	3:4:2:4:	4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C-4:N[6]-2:O-4:	O-4:	O(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	H(OC[6]HH)	O(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	H(OC[6]HH)	109.4757	0.885	3	109.4757	0.783	3	109.4757	0.783	3	109.4757	0.783	3	109.4757	0.783	3	109.4757	0.783	3
967	871	951	0:SP3_SP-NON_SP3	O	O	H	3:1:1:1:	4:1:1:	4:	O-3:H-1:H-1:H-1:	O-4:O-1:O-1:	O-4:	O(OOO)(H)3	O(OH3)(O)2	H(OHHO)	O(OOO)(H)3	O(OH3)(O)2	H(OHHO)	109.4692	0.049	5	109.4692	0.002	5	109.4692	0.002	5	109.4692	0.002	5	108.7191	4.080	7	108.7191	4.080	7
967	871	951	0:SP3_SP-NON_SP3	O	O	H	4:3:1:1:	4:1:1:	4:	O-4:O-3:H-1:H-1:	O-4:H-1:H-1:	O-4:	O(OHHO)(OHH)(H)2	O(OHHO)(H)2	H(OHOO)	O(OHHO)(OHH)(H)2	O(OHHO)(H)2	H(OHOO)	106.8440	3.824	2	106.8440	14.623	2	106.8440	14.623	2	106.8440	14.623	2	108.7191	4.080	7	108.7191	4.080	7
967	871	967	0:SP3_SP3_SP3	O	O	O	4:3:1:1:	4:1:1:	4:3:1:1:	O-4:O-3:H-1:H-1:	O-4:H-1:H-1:	O-4:O-3:H-1:H-1:	O(OHHO)(OHH)(H)2	O(OHHO)(H)2	O(OHHO)(OHH)(H)2	O(OHHO)(OHH)(H)2	O(OHHO)(H)2	O(OHHO)(OHH)(H)2	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1
967	876	951	0:SP3_SP-NON_SP-NON	O	H	H	4:2:1:1:	4:1:	4:	O-4:H-2:H-1:H-1:	O-4:O-1:	O-4:	O(OH3)(HO)(H)2	H(OHHO)(O)	H(OHHO)	O(OH3)(HO)(H)2	H(OHHO)(O)	H(OHHO)	99.7245	56.496	2	99.7245	3191.757	2	99.7245	3191.757	2	99.7245	3191.757	2	99.7245	3191.757	2	99.7245	3191.757	2
967	876	967	0:SP3_SP-NON_SP3	O	H	O	4:2:1:1:	4:1:	4:2:1:1:	O-4:H-2:H-1:H-1:	O-4:O-1:	O-4:H-2:H-1:H-1:	O(OH3)(HO)(H)2	H(OHHO)(O)	O(OH3)(HO)(H)2	O(OH3)(HO)(H)2	H(OHHO)(O)	O(OH3)(HO)(H)2	160.2900	0.000	1	160.2900	0.000	1	160.2900	0.000	1	160.2900	0.000	1	160.2900	0.000	1	160.2900	0.000	1
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	1:1:1:1:	4:	4:	H-1:H-1:H-1:H-1:	O-4:	O-4:	O(H)4	H(OH3)	H(OH3)	O(H)4	H(OH3)	H(OH3)	106.4605	47.947	7	106.4605	2298.960	7	106.4605	2298.960	7	106.4605	2298.960	7	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	3:1:1:1:	4:	4:	O-3:H-1:H-1:H-1:	O-4:	O-4:	O(OOO)(H)3	H(OHHO)	H(OHHO)	O(OOO)(H)3	H(OHHO)	H(OHHO)	109.4662	0.071	5	109.4662	0.005	5	109.4662	0.005	5	109.4662	0.005	5	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:1:	4:	4:	C[6]-4:H-1:H-1:H-1:	O-4:	O-4:	O(C[6]C[6]N[6]C)(H)3	H(OC[6]HH)	H(OC[6]HH)	O(C[6]C[6]N[6]C)(H)3	H(OC[6]HH)	H(OC[6]HH)	109.4530	0.075	2	109.4530	0.006	2	109.4530	0.006	2	110.0662	2.012	8	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	O-4:	O-4:	O(SO3)(H)3	H(OHHS)	H(OHHS)	O(SO3)(H)3	H(OHHS)	H(OHHS)	111.7443	0.047	3	111.7443	0.002	3	110.2707	2.615	6	110.0662	2.012	8	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:1:	4:	4:	S-4:H-1:H-1:H-1:	O-4:	O-4:	O(SRuCC)(H)3	H(OHHS)	H(OHHS)	O(SRuCC)(H)3	H(OHHS)	H(OHHS)	108.7970	0.144	3	108.7970	0.021	3	110.2707	2.615	6	110.0662	2.012	8	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:2:1:1:	4:	4:	O-4:H-2:H-1:H-1:	O-4:	O-4:	O(OH3)(HO)(H)2	H(OHHO)	H(OHHO)	O(OH3)(HO)(H)2	H(OHHO)	H(OHHO)	128.8810	0.000	1	128.8810	0.000	1	128.8810	0.000	1	128.8810	0.000	1	109.0621	685.377	22	109.0621	685.377	22
967	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:3:1:1:	4:	4:	O-4:O-3:H-1:H-1:	O-4:	O-4:	O(OHHO)(OHH)(H)2	H(OHOO)	H(OHOO)	O(OHHO)(OHH)(H)2	H(OHOO)	H(OHOO)	97.4002	0.000	1	97.4002	0.000	1	97.4002	0.000	1	97.4002	0.000	1	109.0621	685.377	22	109.0621	685.377	22
967	951	952	0:SP3_SP-NON_SP3	O	H	S	4:1:1:1:	4:	4:1:1:1:	S-4:H-1:H-1:H-1:	O-4:	O-4:O-1:O-1:O-1:	O(SO3)(H)3	H(OHHS)	S(OH3)(O)3	O(SO3)(H)3	H(OHHS)	S(OH3)(O)3	107.0880	0.007	2	107.0880	0.000	2	107.0880	0.000	2	107.0880	0.000	2	107.0880	0.000	2	107.0880	0.000	2
967	951	967	0:SP3_SP-NON_SP3	O	H	O	4:2:1:1:	4:	4:2:1:1:	O-4:H-2:H-1:H-1:	O-4:	O-4:H-2:H-1:H-1:	O(OH3)(HO)(H)2	H(OHHO)	O(OH3)(HO)(H)2	O(OH3)(HO)(H)2	H(OHHO)	O(OH3)(HO)(H)2	84.4513	76.921	2	84.4513	5916.903	2	84.4513	5916.903	2	84.4513	5916.903	2	100.3699	2325.893	4	100.3699	2325.893	4
967	951	967	0:SP3_SP-NON_SP3	O	H	O	4:3:1:1:	4:	4:3:1:1:	O-4:O-3:H-1:H-1:	O-4:	O-4:O-3:H-1:H-1:	O(OHHO)(OHH)(H)2	H(OHOO)	O(OHHO)(OHH)(H)2	O(OHHO)(OHH)(H)2	H(OHOO)	O(OHHO)(OHH)(H)2	116.2885	6.868	2	116.2885	47.171	2	116.2885	47.171	2	116.2885	47.171	2	100.3699	2325.893	4	100.3699	2325.893	4
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:5:6:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,4x5,12x6]S)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,4x5,12x6]S)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|S<3>,3|H<1>}	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	93.3517	0.000	1	93.3517	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|S<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	96.0781	0.000	1	96.0781	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|I<1>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	96.1754	0.000	1	96.1754	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<2>,1|S<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|N<4>,1|S<2>,3|H<1>}	98.8313	0.000	1	98.8313	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]P)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]P)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,1|P<4>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|P<4>,3|H<1>}	97.9499	0.000	1	97.9499	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	93.2193	0.000	1	93.2193	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]P)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]P)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]P)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]P)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	97.5952	0.000	1	97.5952	0.000	1	96.1716	4.823	7	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C[6a])(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C[6a])(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,3|C<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|C<3>,3|H<1>}	96.2083	2.860	2	96.2083	8.181	2	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|N<4>,1|S<2>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<2>,4|H<1>}	95.3356	0.000	1	95.3356	0.000	1	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	92.3359	0.000	1	93.5156	2.783	2	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	94.6953	0.000	1	93.5156	2.783	2	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|N<4>,1|S<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|S<3>,3|H<1>}	94.1571	0.000	1	94.1571	0.000	1	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]S)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	94.5231	4.431	3	94.5231	19.633	3	94.7233	7.297	9	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	97.5001	0.000	1	97.5001	0.000	1	94.8307	8.783	3	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|P<4>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2P)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	91.6417	0.000	1	91.6417	0.000	1	94.8307	8.783	3	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)2	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,1|N<3>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]N)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<4>,4|H<1>}	95.3504	0.000	1	95.3504	0.000	1	94.8307	8.783	3	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:I-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(I)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]I)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(I){1|B<6>,1|S<2>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]I)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	96.4539	0.000	1	96.4539	0.000	1	96.4539	0.000	1	95.3328	6.061	20	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|H<2>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	96.7284	1.712	2	96.7284	2.930	2	96.7284	2.930	2	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]AlH)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(H[3]B[4x3,3x5,12x6])(H){1|Al<5>,1|B<6>,1|C<4>,1|H<2>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]AlH)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|C<4>,3|H<1>}	96.7649	0.000	1	96.7649	0.000	1	99.0340	22.098	3	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]FeH)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|Fe<9>,1|B<6>,1|H<2>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]FeH)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	95.8981	0.000	1	95.8981	0.000	1	99.0340	22.098	3	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]IrH)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|Ir<7>,1|B<6>,1|C<3>,1|H<2>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]IrH)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<3>,4|H<1>}	104.4390	0.000	1	104.4390	0.000	1	99.0340	22.098	3	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2N)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|H<2>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|N<4>,4|H<1>}	95.2220	1.336	2	95.2220	1.784	2	95.2220	1.784	2	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:1:	6:6:6:6:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,13x6]-5:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,13x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2C[6])(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,13x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2C[6])(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|H<2>,2|C<4>,6|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2H[3]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,2|C<4>,3|H<1>}	94.0061	0.000	1	94.0061	0.000	1	94.0061	0.000	1	96.8761	10.948	8	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:3:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:S-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(SCC)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]S)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2S)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(SCC){1|B<6>,1|S<3>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]S)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|S<3>,4|H<1>}	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:4:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:B-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(BN[6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(BN[6]2H){1|B<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]I)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,4|H<1>}	92.2119	0.000	1	92.2119	0.000	1	92.2119	0.000	1	93.0841	1.521	2	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:4:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-5:H[3]-2:P-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2P)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(PC[6a]CC)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]P)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2P)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(PC[6a]CC){1|B<6>,1|C<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]P)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,1|C<6>,4|H<1>}	93.9563	0.000	1	93.9563	0.000	1	93.9563	0.000	1	93.0841	1.521	2	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:6:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2HH)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2HH)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(H[3]B[4x3,3x5,12x6])(H){1|B<6>,6|H<1>}	95.0181	0.000	1	95.0181	0.000	1	95.0181	0.000	1	94.3732	0.832	2	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:6:2:1:	6:6:6:5:2:1:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,4x5,13x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:H[3]-2:H-1:	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[3x3,5,5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]N)(H[3]B[4x3,3x5,12x6])(H)	H[3](B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)	B[4x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[3x3,5,5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H[3]H)(H[3]B[4x3,3x5,12x6])(H){1|N<4>,4|B<6>,6|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]N)(H[3]B[4x3,3x5,12x6])(H){3|H<1>,4|B<6>}	93.7284	0.000	1	93.7284	0.000	1	93.7284	0.000	1	94.3732	0.832	2	96.2623	18.070	34	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,3x5,13x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:4:	6:6:6:6:2:1:	B[4x3,3x5,13x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,13x6]-5:H[3]-2:C[6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,13x6]-6:B[4x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2H)	B[4x3,3x5,13x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(H[3]B[4x3,3x5,12x6])(C[6]C[6]BH)	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,13x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6]H[3])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,13x6])(H)	H[3](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2H)	B[4x3,3x5,13x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(H[3]B[4x3,3x5,12x6])(C[6]C[6]BH){1|B<6>,1|C<4>,1|H<2>,9|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,13x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6]H[3])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(H[3]B[4x3,3x5,13x6])(H){1|B<3>,1|B<6>,2|C<4>,5|H<1>}	93.3625	0.000	1	93.3625	0.000	1	93.3625	0.000	1	93.3625	0.000	1	93.3625	0.000	1	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,4x5,12x6]	B[4x3,3x5,12x6]	6:6:	6:6:6:5:2:3:	6:6:6:6:2:1:	B[4x3,4x5,12x6]-6:B[4x3,3x5,12x6]-6:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,4x5,12x6]-5:H[3]-2:N[5,6]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,4x5,12x6]-6:B[3x3,3x5,12x6]-6:H[3]-2:H-1:	H[3](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]N[5,6])(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2H)	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6])	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2HH)(H[3]B[4x3,4x5,12x6])(H)	H[3](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]N[5,6])(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2H)	B[4x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[5])(H[3]B[4x3,3x5,12x6])(N[5,6]C[5,6]C[6]){1|B<6>,2|C<3>,9|H<1>}	B[4x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]N[5,6]H[3])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2HH)(H[3]B[4x3,4x5,12x6])(H){1|B<6>,1|C<4>,2|C<3>,4|H<1>}	102.8160	0.000	1	102.8160	0.000	1	102.8160	0.000	1	102.8160	0.000	1	102.8160	0.000	1	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,3x6]	B[4x3,5,6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,3x6]-6:B[4x3,5,6]-6:	B[3x3,5,5,6]-6:B[5x3,3x6]-6:B[4x3,5,6]-6:B[3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,3x6]-6:B[4x3,5,3x6]-6:B[5x3,3x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(B[3,5,4x6]B[3x3,5,5,6]B[3,5,4x6]IrH)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]H[3]H)(B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H)	H[3](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(B[3,5,4x6]B[3x3,5,5,6]B[3,5,4x6]IrH)(H[3]B[4x3,5,6])(H){1|B<6>,1|H<2>,3|H<1>}	B[4x3,5,6](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]H[3]H)(B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H){1|Ir<10>,1|B<5>,1|H<2>,4|H<1>}	92.8252	0.000	1	92.8252	0.000	1	87.8065	22.070	3	87.8065	22.070	3	86.8615	18.286	4	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,3x6]	B[4x3,5,6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,3x6]-6:B[4x3,5,6]-6:	B[3x3,5,5,6]-6:B[5x3,3x6]-6:B[4x3,5,6]-6:B[3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,3x6]-6:B[4x3,5,3x6]-6:B[5x3,3x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(B[3,5,4x6]B[3x3,5,5,6]S[5,4x6]IrH)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)2(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H)	H[3](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(B[3,5,4x6]B[3x3,5,5,6]S[5,4x6]IrH)(H[3]B[4x3,5,6])(H){1|B<5>,2|H<1>}	B[4x3,5,6](B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)2(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H){1|Ir<8>,1|S<3>,4|H<1>}	85.2972	2.522	2	85.2972	6.360	2	87.8065	22.070	3	87.8065	22.070	3	86.8615	18.286	4	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,3x6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,3x6]-6:B[4x3,5,6]-6:	B[3x3,5,5,6]-6:B[5x3,3x6]-6:B[3,3,5,4x6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[4x3,5,3x6]-6:B[4x3,5,3x6]-6:B[5x3,3x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[3,3,5,4x6]B[3x3,5,5,6]B[3,5,4x6]H[3]IrH)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]H[3]H)(B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H)	H[3](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,3x6]H)(B[4x3,5,6]B[4x3,5,3x6]2B[5x3,3x6]H[3]H)	B[4x3,5,3x6](B[3x3,5,5,6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]IrH)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]B[4x3,5,6]H)(B[3,3,5,4x6]B[3x3,5,5,6]B[3,5,4x6]H[3]IrH)(B[4x3,5,6]B[4x3,5,3x6]B[5x3,3x6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,3|H<1>}	B[4x3,5,6](B[4x3,5,3x6]B[3,3,5,4x6]B[3x3,5,5,6]B[5x3,3x6]H[3]H)(B[4x3,5,3x6]B[3x3,5,5,6]B[3,5,4x6]B[5x3,3x6]H[3]H)(B[5x3,3x6]B[3x3,5,5,6]2B[4x3,5,3x6]2H)(H[3]B[4x3,5,3x6])2(H){1|Ir<10>,1|B<5>,1|H<2>,4|H<1>}	84.0265	0.000	1	84.0265	0.000	1	84.0265	0.000	1	84.0265	0.000	1	86.8615	18.286	4	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[3x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:5:2:1:1:	B[3x3,5,3x6]-6:B[4x3,5,5,4x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:H[3]-2:H-1:H-1:	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[3x3,5,3x6])(H)	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[3x3,5,3x6])(H){1|B<6>,1|H<2>,3|H<1>}	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2{1|B<6>,1|H<2>,1|N<4>,5|H<1>}	92.5028	1.124	2	92.5028	1.264	2	93.0388	3.072	6	92.7206	3.269	7	92.6795	2.816	8	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[3x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:5:2:1:1:	B[3x3,5,3x6]-6:B[4x3,5,5,4x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:H[3]-2:H-1:H-1:	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HP)(H[3]B[3x3,5,3x6])(H)	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HP)(H[3]B[3x3,5,3x6])(H){1|B<6>,1|H<2>,3|H<1>}	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2{1|B<6>,1|H<2>,1|P<4>,5|H<1>}	92.7212	3.101	2	92.7212	9.619	2	93.0388	3.072	6	92.7206	3.269	7	92.6795	2.816	8	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[3x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:5:2:1:1:	B[3x3,5,3x6]-6:B[4x3,5,5,4x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:H[3]-2:H-1:H-1:	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]N[6]H)(H[3]B[3x3,5,3x6])(H)	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]N[6]H)(H[3]B[3x3,5,3x6])(H){1|B<6>,1|H<2>,2|C<3>,3|H<1>}	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2{1|B<6>,1|H<2>,1|N<3>,5|H<1>}	93.8923	1.499	2	93.8923	2.247	2	93.0388	3.072	6	92.7206	3.269	7	92.6795	2.816	8	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[3x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:5:2:1:1:	B[3x3,5,3x6]-6:B[4x3,5,5,4x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:C[3,3,5,3x6]-5:H[3]-2:H-1:	B[5x3,5,5,6]-6:B[4x3,5,5,4x6]-6:B[3x3,5,5,4x6]-5:H[3]-2:H-1:H-1:	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HH)(H[3]B[3x3,5,3x6])(H)	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(H[3]B[4x3,5,5,4x6])(H)2	H[3](B[3x3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HH)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[3x3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HH)(H[3]B[3x3,5,3x6])(H){1|C<5>,3|H<1>}	B[3x3,5,3x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]2H)(B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)(B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(H[3]B[4x3,5,5,4x6])(H)2{1|B<5>,1|C<4>,5|H<1>}	90.8116	0.000	1	90.8116	0.000	1	90.8116	0.000	1	92.7206	3.269	7	92.6795	2.816	8	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[3x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:6:2:1:1:	B[4x3,5,5,4x6]-6:B[3x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H-1:H-1:	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]HH)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[3x3,5,3x6])(H)	B[3x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]HH)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[3x3,5,3x6])(H){1|B<6>,2|H<2>,3|H<1>}	B[3x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])(H)2{1|B<6>,1|H<2>,1|N<4>,4|H<1>}	92.3912	0.000	1	92.3912	0.000	1	92.3912	0.000	1	92.3912	0.000	1	92.6795	2.816	8	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[4x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,5,4x6]-6:B[4x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[4x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HP)(H[3]B[4x3,5,3x6])(H)	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H)	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(B[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HP)(H[3]B[4x3,5,3x6])(H){1|B<5>,3|H<1>}	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H){1|B<5>,2|P<4>,4|H<1>}	90.2389	0.103	2	90.2389	0.011	2	91.1067	2.265	3	91.0092	7.937	5	90.5034	7.885	6	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[4x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,5,4x6]-6:B[4x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[4x3,5,3x6]-6:B[3,3,5,3x6]-5:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[4x3,5,3x6])(H)	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H)	H[3](B[4x3,5,5,4x6]B[3,3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(B[3,3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]HN)(H[3]B[4x3,5,3x6])(H){1|B<6>,1|H<2>,3|H<1>}	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H){1|B<6>,1|H<2>,1|N<4>,5|H<1>}	92.8424	0.000	1	92.8424	0.000	1	91.1067	2.265	3	91.0092	7.937	5	90.5034	7.885	6	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[4x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,5,4x6]-6:B[4x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[4x3,5,3x6]-6:C[3,3,5,3x6]-5:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]CH)(H[3]B[4x3,5,3x6])(H)	B[4x3,5,3x6](B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H)	H[3](B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]CH)(H[3]B[4x3,5,3x6])(H){1|C<5>,3|H<1>}	B[4x3,5,3x6](B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H){1|B<5>,1|C<4>,5|H<1>}	94.5472	0.000	1	94.5472	0.000	1	90.8630	27.147	2	91.0092	7.937	5	90.5034	7.885	6	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[4x3,5,3x6]	6:6:	6:6:6:5:2:1:	6:6:6:2:2:1:	B[4x3,5,5,4x6]-6:B[4x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[4x3,5,3x6]-6:C[3,3,5,3x6]-5:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HH)(H[3]B[4x3,5,3x6])(H)	B[4x3,5,3x6](B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H)	H[3](B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[3x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(C[3,3,5,3x6]B[3x3,5,5,4x6]B[5x3,5,5,6]HH)(H[3]B[4x3,5,3x6])(H){1|C<5>,3|H<1>}	B[4x3,5,3x6](B[4x3,5,5,4x6]B[5x3,5,5,6]2C[3,3,5,3x6]H[3]H)2(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H){1|B<5>,1|C<4>,5|H<1>}	87.1788	0.000	1	87.1788	0.000	1	90.8630	27.147	2	91.0092	7.937	5	90.5034	7.885	6	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,4x6]	B[4x3,5,3x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,4x6]-6:B[4x3,5,3x6]-6:	B[5x3,5,5,6]-6:B[5x3,5,5,6]-6:B[3x3,5,3x6]-6:B[4x3,5,3x6]-6:H[3]-2:H-1:	B[4x3,5,5,4x6]-6:B[4x3,5,5,4x6]-6:B[5x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,4x6]B[3x3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(H[3]B[4x3,5,3x6])(H)	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H)	H[3](B[4x3,5,5,4x6]B[3x3,5,3x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[4x3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H[3]H)	B[4x3,5,5,4x6](B[5x3,5,5,6]B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H)(B[5x3,5,5,6]B[4x3,5,5,4x6]B[4x3,5,3x6]B[5x3,5,5,6]2H)(B[3x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]HH)(B[4x3,5,3x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H[3]2H)(H[3]B[4x3,5,3x6])(H){1|B<5>,3|H<1>}	B[4x3,5,3x6](B[4x3,5,5,4x6]B[3,3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[4x3,5,5,4x6]B[3x3,5,3x6]B[5x3,5,5,6]2H[3]H)(B[5x3,5,5,6]B[4x3,5,5,4x6]2B[5x3,5,5,6]2H)(H[3]B[4x3,5,5,4x6])2(H){1|B<6>,1|H<2>,1|N<4>,5|H<1>}	87.9743	0.000	1	87.9743	0.000	1	87.9743	0.000	1	87.9743	0.000	1	90.5034	7.885	6	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:5:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[3x3,5,5,6,6]-5:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]Cl)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]Cl)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,4|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|Cl<1>,1|B<6>,2|B<5>,2|H<1>}	90.8672	0.000	1	90.8672	0.000	1	89.4361	4.096	2	89.4361	4.096	2	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:5:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[3x3,5,5,6,6]-5:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5])(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]S)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,5])(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5])(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]S)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,4|H<1>,5|B<6>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,5])(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|S<3>,2|B<5>,2|H<1>,6|B<6>}	88.0050	0.000	1	88.0050	0.000	1	89.4361	4.096	2	89.4361	4.096	2	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-6:B[5x3,5,5]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[5x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]HH)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[5x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]HH)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){3|H<1>,4|B<6>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){3|B<6>,4|H<1>}	91.5694	0.000	1	91.5694	0.000	1	91.0079	0.631	2	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-6:B[5x3,5,5]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[5x3,4x5,13x6]B[5x3,5,5]B[5x3,5,6]HH)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[5x3,4x5,13x6]B[5x3,5,5]B[5x3,5,6]HH)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){3|H<1>,4|B<6>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){3|B<6>,4|H<1>}	90.4464	0.000	1	90.4464	0.000	1	91.0079	0.631	2	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[5x3,5,5]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){3|H<1>,4|B<6>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<7>,1|H<2>,2|B<6>,3|H<1>}	90.2858	0.000	1	90.2858	0.000	1	90.2858	0.000	1	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:Cl-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]Cl)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2Cl)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(Cl)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]Cl)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2Cl)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,4|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(Cl){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	89.0471	0.000	1	89.0471	0.000	1	89.0471	0.000	1	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|Cl<1>,1|B<5>,1|H<2>,3|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	88.7163	0.000	1	88.7163	0.000	1	92.1165	5.519	5	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,3|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	93.6140	0.000	1	92.5617	2.828	3	92.1165	5.519	5	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,4|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	92.0355	1.999	2	92.5617	2.828	3	92.1165	5.519	5	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:	B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]S)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]S)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H)(B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)	B[4x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5,5]S)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2S)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|B<5>,1|H<2>,4|H<1>}	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]S)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	94.1810	0.000	1	94.1810	0.000	1	92.1165	5.519	5	91.3257	4.038	9	90.9821	4.225	11	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6]	B[4x3,5,6]	6:6:	6:6:6:6:2:1:	6:6:5:2:2:1:	B[4x3,5,5,6]-6:B[4x3,5,6]-6:	B[5x3,3x5,8x6]-6:B[5x3,5]-6:B[5x3,5]-6:B[4x3,5,6]-6:H[3]-2:H-1:	B[5x3,5]-6:B[4x3,5,5,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,6]B[5x3,3x5,8x6]B[4x3,5,6]B[5x3,5]2H)(B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)	B[4x3,5,5,6](B[5x3,3x5,8x6]B[4x3,5,5,5x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5])(B[5x3,5]B[4x3,5,5,5x6]B[5x3,3x5,8x6]B[3x3,5,5,6]B[5x3,5]H)(B[5x3,5]B[3x3,5,5,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5]H[3]2H)(H[3]B[4x3,5,6])(H)	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H)(B[4x3,5,5,6]B[5x3,3x5,8x6]B[5x3,5]2H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]C)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H)	H[3](B[4x3,5,5,6]B[5x3,3x5,8x6]B[4x3,5,6]B[5x3,5]2H)(B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)	B[4x3,5,5,6](B[5x3,3x5,8x6]B[4x3,5,5,5x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5])(B[5x3,5]B[4x3,5,5,5x6]B[5x3,3x5,8x6]B[3x3,5,5,6]B[5x3,5]H)(B[5x3,5]B[3x3,5,5,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5]H)(B[4x3,5,6]B[3x3,5,6]B[5x3,5]H[3]2H)(H[3]B[4x3,5,6])(H){1|Pt<6>,1|C<4>,1|H<2>,4|B<6>,5|H<1>}	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H)(B[4x3,5,5,6]B[5x3,3x5,8x6]B[5x3,5]2H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]C)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H){3|H<1>,4|B<6>}	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:5:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|Fe<8>,1|C<3>,1|C<5>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){1|B<6>,1|P<5>,4|H<1>}	91.2478	0.000	1	91.2478	0.000	1	91.2478	0.000	1	91.2391	0.000	2	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:5:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3x3,5,5,7x6]-5:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|Fe<8>,1|B<5>,1|C<3>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){1|B<6>,1|P<5>,4|H<1>}	91.2304	0.000	1	91.2304	0.000	1	91.2304	0.000	1	91.2391	0.000	2	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|C<3>,1|H<2>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){2|B<6>,2|H<2>,4|H<1>}	93.0485	0.562	2	89.9732	7.782	10	89.9176	7.038	11	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|C<4>,1|H<2>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){2|B<6>,2|H<2>,4|H<1>}	88.0115	0.906	4	89.9732	7.782	10	89.9176	7.038	11	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|H<2>,1|I<1>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){2|B<6>,2|H<2>,4|H<1>}	92.8978	2.259	2	89.9732	7.782	10	89.9176	7.038	11	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|H<2>,2|B<6>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){2|B<6>,2|H<2>,4|H<1>}	87.8965	1.454	2	89.9732	7.782	10	89.9176	7.038	11	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<5>,1|B<7>,2|B<6>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){1|B<5>,1|B<7>,2|B<6>,2|H<2>,3|H<1>}	89.3615	0.000	1	89.3615	0.000	1	89.9176	7.038	11	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:I-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]I)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2I)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(I)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]I)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2I)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|H<2>,4|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(I){2|B<6>,2|H<2>,4|H<1>}	88.0513	1.400	2	88.0513	1.961	2	88.0513	1.961	2	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[5x3,5,5,4x6]-6:B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]B[5x3,5,6])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2B[5x3,5,6])(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]B[5x3,5,6])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<5>,1|H<2>,4|H<1>,5|B<6>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2B[5x3,5,6])(H[3]B[4x3,5,5,7x6])2(H){1|B<5>,2|H<2>,4|H<1>,6|B<6>}	88.6251	2.801	2	88.6251	7.845	2	88.6251	7.845	2	89.4964	6.273	15	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:3:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-3:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]C)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2C)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]C)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2C)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|C<3>,1|H<2>,3|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCH){2|B<6>,2|H<2>,4|H<1>}	89.1360	2.310	4	89.1360	5.335	4	89.1360	5.335	4	89.7525	8.184	6	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:3:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C[6a]-3:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]C[6a]H[3])	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[6a]H[3]2)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6a]C[6a]2)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]C[6a]H[3])	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[6a]H[3]2)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|H<2>,2|C<3>,4|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6a]C[6a]2){2|B<6>,2|C<3>,2|H<2>,6|H<1>}	90.9854	4.511	2	90.9854	20.353	2	90.9854	20.353	2	89.7525	8.184	6	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:4:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-4:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]C)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2C)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]C)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2C)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|H<2>,4|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH){2|B<6>,2|H<2>,4|H<1>}	90.9676	0.599	2	90.9676	0.358	2	90.9676	0.358	2	90.4083	0.615	4	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	6:6:6:6:2:1:	6:6:6:2:2:4:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C[6]-4:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]C[6]H[3])	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[6]H[3]2)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6]C[6]2H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]C[6]H[3])	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[6]H[3]2)(H[3]B[4x3,5,4x6])(H){1|B<6>,1|H<2>,2|C<4>,5|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6]C[6]2H){2|B<6>,2|C<4>,2|H<2>,8|H<1>}	89.8491	0.485	2	89.8491	0.235	2	89.8491	0.235	2	90.4083	0.615	4	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,4x6]	6:6:	7:6:6:6:2:1:	6:6:6:2:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,4x6]-6:	B[6x3,3x5,8x6]-7:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[4x3,5,4x6]-6:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[6x3,3x5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,6]H[3])(B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2B[6x3,3x5,8x6]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H)	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H)	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]H)	B[4x3,5,5,7x6](B[6x3,3x5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,6]H[3])(B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2B[6x3,3x5,8x6]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[4x3,5,4x6]H)(B[4x3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]2H)(H[3]B[4x3,5,4x6])(H){1|B<5>,1|H<2>,3|B<6>,5|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]H[3]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(H){1|B<5>,1|B<7>,2|B<6>,2|H<2>,3|H<1>}	90.6259	0.000	1	90.6259	0.000	1	90.6259	0.000	1	90.6259	0.000	1	89.8464	5.120	28	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HO)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|O<2>,4|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HO)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,5|H<1>}	94.2736	0.889	2	94.2736	0.791	2	93.1768	8.890	12	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HN)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HN)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HN)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<4>,4|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HN)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<4>,4|H<1>}	90.0833	0.000	1	90.0833	0.000	1	93.1768	8.890	12	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|O<2>,1|S<3>,3|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|S<3>,4|H<1>}	93.2855	0.000	1	93.2855	0.000	1	93.1768	8.890	12	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[5]H)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[5]H)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[5]H)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<3>,2|C<3>,4|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[5]H)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<3>,2|C<3>,4|H<1>}	93.0565	4.385	4	93.0565	19.228	4	93.1768	8.890	12	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[6]H)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[6]H)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)2	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[6]H)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<3>,2|C<3>,4|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]N[6]H)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|N<3>,2|C<3>,4|H<1>}	93.4949	2.993	4	93.4949	8.956	4	93.1768	8.890	12	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,5|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HH)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,5|H<1>}	97.9365	2.254	2	97.9365	5.083	2	97.9365	5.083	2	93.8568	10.901	14	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,7x6]	B[4x3,5,5,7x6]	6:6:	6:6:6:5:2:2:	6:6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:O-2:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3,3,5,4x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]O)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(OS)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]O)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]O)	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(OS){1|B<6>,1|H<2>,1|S<3>,4|H<1>}	B[4x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H[3]O)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[3,3,5,4x6]H)(B[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]HS)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,1|H<2>,1|S<3>,4|H<1>}	94.8202	0.000	1	94.8202	0.000	1	94.8202	0.000	1	94.8202	0.000	1	93.9210	10.184	15	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,8x6]	B[4x3,5,5,8x6]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5,5,8x6]-6:B[4x3,5,5,8x6]-6:	B[5x3,5,5,5x6]-6:B[4x3,5,5,8x6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,6x6]-5:H[3]-2:H-1:	B[5x3,5,5,5x6]-6:B[4x3,5,5,8x6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,6x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)2	B[4x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(H[3]B[4x3,5,5,8x6])(H)	B[4x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(H[3]B[4x3,5,5,8x6])(H)	H[3](B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)2	B[4x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(H[3]B[4x3,5,5,8x6])(H){1|B<6>,2|C<4>,4|H<1>}	B[4x3,5,5,8x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(H[3]B[4x3,5,5,8x6])(H){1|B<6>,2|C<4>,4|H<1>}	97.7765	0.000	1	97.7765	0.000	1	97.7765	0.000	1	97.7765	0.000	1	97.7765	0.000	1	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,6]	B[4x3,5,5,6]	6:6:	5:6:6:2:2:1:	5:6:6:6:2:1:	B[4x3,5,6]-6:B[4x3,5,5,6]-6:	B[5x3,5]-5:B[3x3,5,6]-6:B[4x3,5,5,6]-6:H[3]-2:H[3]-2:H-1:	B[5x3,5]-5:B[5x3,5]-6:B[4x3,5,6]-6:B[3,3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)(B[4x3,5,5,6]B[3,3,5,6]B[4x3,5,6]B[5x3,5]2H)	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5])(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]IrH)(B[4x3,5,5,6]B[3,3,5,6]B[5x3,5]2H[3]H)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H)	B[4x3,5,5,6](B[5x3,5]B[3x3,5,5,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5])(B[5x3,5]B[3x3,5,5,6]B[3,3,5,6]2B[5x3,5]Cl)(B[4x3,5,6]B[3x3,5,6]B[5x3,5]H[3]2H)(B[3,3,5,6]B[3,3,5,6]B[5x3,5]IrHH)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)(B[4x3,5,5,6]B[3,3,5,6]B[4x3,5,6]B[5x3,5]2H)	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5])(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]IrH)(B[4x3,5,5,6]B[3,3,5,6]B[5x3,5]2H[3]H)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H){1|Cl<1>,1|B<5>,1|H<2>,2|H<1>}	B[4x3,5,5,6](B[5x3,5]B[3x3,5,5,6]B[3x3,5,6]B[4x3,5,6]B[5x3,5])(B[5x3,5]B[3x3,5,5,6]B[3,3,5,6]2B[5x3,5]Cl)(B[4x3,5,6]B[3x3,5,6]B[5x3,5]H[3]2H)(B[3,3,5,6]B[3,3,5,6]B[5x3,5]IrHH)(H[3]B[4x3,5,6])(H){3|H<1>}	95.8504	0.000	1	95.8504	0.000	1	95.8504	0.000	1	95.8504	0.000	1	95.8504	0.000	1	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5]	B[4x3,5]	6:6:	6:6:6:3:2:1:	6:6:6:2:2:1:	B[4x3,5]-6:B[4x3,5]-6:	B[4x3,5]-6:B[4x3,5]-6:B[5x3]-6:S[3]-3:H[3]-2:H-1:	B[4x3,5]-6:B[4x3,5]-6:B[5x3]-6:H[3]-2:H[3]-2:H-1:	H[3](B[4x3,5]B[4x3,5]2B[5x3]H[3]H)(B[4x3,5]B[4x3,5]2B[5x3]S[3]H)	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)(B[4x3,5]B[4x3,5]B[5x3]H[3]2H)(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H)	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(H[3]B[4x3,5])2(H)	H[3](B[4x3,5]B[4x3,5]2B[5x3]H[3]H)(B[4x3,5]B[4x3,5]2B[5x3]S[3]H)	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)(B[4x3,5]B[4x3,5]B[5x3]H[3]2H)(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H){1|S<3>,2|H<1>}	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(H[3]B[4x3,5])2(H){1|Ru<8>,1|H<2>,2|H<1>}	91.1295	0.852	2	91.1295	0.727	2	91.1295	0.727	2	91.1295	0.727	2	92.0569	1.527	4	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5]	B[4x3,5]	6:6:	6:6:6:3:2:1:	6:6:6:3:2:1:	B[4x3,5]-6:B[4x3,5]-6:	B[4x3,5]-6:B[4x3,5]-6:B[5x3]-6:S[3]-3:H[3]-2:H-1:	B[4x3,5]-6:B[4x3,5]-6:B[5x3]-6:S[3]-3:H[3]-2:H-1:	H[3](B[4x3,5]B[4x3,5]2B[5x3]S[3]H)2	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H)	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H)	H[3](B[4x3,5]B[4x3,5]2B[5x3]S[3]H)2	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H){1|H<2>,2|H<1>}	B[4x3,5](B[4x3,5]B[4x3,5]B[5x3]H[3]S[3]H)2(B[5x3]B[4x3,5]4H)(S[3]B[4x3,5]Ru)(H[3]B[4x3,5])(H){1|H<2>,2|H<1>}	92.5300	0.000	1	92.5300	0.000	1	92.5300	0.000	1	92.5300	0.000	1	92.0569	1.527	4	93.0060	19.881	115
968	18	18	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5]	B[4x3,5]	6:6:	6:6:6:5:2:1:	6:6:6:5:2:1:	B[4x3,5]-6:B[4x3,5]-6:	B[4x3,5,6,6]-6:B[5x3,6]-6:B[4x3,5]-6:C[3,3]-5:H[3]-2:H-1:	B[4x3,5,6,6]-6:B[5x3,6]-6:B[4x3,5]-6:C[3,3]-5:H[3]-2:H-1:	H[3](B[4x3,5]B[4x3,5,6,6]B[4x3,5]B[5x3,6]C[3,3]H)2	B[4x3,5](B[4x3,5,6,6]B[3,3,5,6]B[3,6,6]B[5x3,6]C[3,3]H)(B[5x3,6]B[4x3,5,6,6]2B[3,3,5,6]B[4x3,5]H)(B[4x3,5]B[4x3,5,6,6]B[5x3,6]C[3,3]H[3]H)(C[3,3]B[4x3,5,6,6]B[3,6,6]HH)(H[3]B[4x3,5])(H)	B[4x3,5](B[4x3,5,6,6]B[3,3,5,6]B[3,6,6]B[5x3,6]C[3,3]H)(B[5x3,6]B[4x3,5,6,6]2B[3,3,5,6]B[4x3,5]H)(B[4x3,5]B[4x3,5,6,6]B[5x3,6]C[3,3]H[3]H)(C[3,3]B[4x3,5,6,6]B[3,6,6]HH)(H[3]B[4x3,5])(H)	H[3](B[4x3,5]B[4x3,5,6,6]B[4x3,5]B[5x3,6]C[3,3]H)2	B[4x3,5](B[4x3,5,6,6]B[3,3,5,6]B[3,6,6]B[5x3,6]C[3,3]H)(B[5x3,6]B[4x3,5,6,6]2B[3,3,5,6]B[4x3,5]H)(B[4x3,5]B[4x3,5,6,6]B[5x3,6]C[3,3]H[3]H)(C[3,3]B[4x3,5,6,6]B[3,6,6]HH)(H[3]B[4x3,5])(H){1|B<4>,1|C<4>,5|H<1>}	B[4x3,5](B[4x3,5,6,6]B[3,3,5,6]B[3,6,6]B[5x3,6]C[3,3]H)(B[5x3,6]B[4x3,5,6,6]2B[3,3,5,6]B[4x3,5]H)(B[4x3,5]B[4x3,5,6,6]B[5x3,6]C[3,3]H[3]H)(C[3,3]B[4x3,5,6,6]B[3,6,6]HH)(H[3]B[4x3,5])(H){1|B<4>,1|C<4>,5|H<1>}	93.4386	0.000	1	93.4386	0.000	1	93.4386	0.000	1	93.4386	0.000	1	92.0569	1.527	4	93.0060	19.881	115
968	18	382	0:SP-NON_SPD6_SPD7	H[3]	B[4x3,5,5,6,6]	B[6x3,3x5,8x6]	7:6:	7:6:6:6:2:1:	6:6:6:6:6:6:2:	B[6x3,3x5,8x6]-7:B[4x3,5,5,6,6]-6:	B[6x3,3x5,8x6]-7:B[5x3,5,6]-6:B[5x3,5,5]-6:B[4x3,5,5,6,6]-6:H[3]-2:H-1:	B[4x3,5,5,5x6]-6:B[5x3,5,6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-6:B[4x3,5,5,6,6]-6:H[3]-2:	H[3](B[6x3,3x5,8x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[4x3,5,5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6])(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H)	B[4x3,5,5,6,6](B[6x3,3x5,8x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6]H[3])(B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[6x3,3x5,8x6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(H[3]B[6x3,3x5,8x6])(H)	B[6x3,3x5,8x6](B[4x3,5,5,5x6]B[3x3,5,5,7x6]B[4x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6]Ni)(B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[4x3,5,5,6,6]B[5x3,5,5]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[5x3,3x5,6,6]2H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]HH)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])	H[3](B[6x3,3x5,8x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[4x3,5,5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6])(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H)	B[4x3,5,5,6,6](B[6x3,3x5,8x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6]H[3])(B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[6x3,3x5,8x6]B[5x3,5,5]H)(B[5x3,5,5]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,6]2H)(B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(H[3]B[6x3,3x5,8x6])(H){1|Ni<9>,1|H<2>,2|B<5>,3|B<6>,7|H<1>}	B[6x3,3x5,8x6](B[4x3,5,5,5x6]B[3x3,5,5,7x6]B[4x3,3x5,6,6]B[5x3,5,5,4x6]B[5x3,5,6]Ni)(B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[4x3,5,5,6,6]B[5x3,5,5]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,5x6]B[5x3,3x5,6,6]2H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]HH)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6]){1|B<5>,1|H<2>,3|B<6>,7|H<1>}	93.1542	0.000	1	93.1542	0.000	1	93.1542	0.000	1	93.1542	0.000	1	93.1542	0.000	1	91.5005	5.469	2
968	18	382	0:SP-NON_SPD6_SPD7	H[3]	B[4x3,5,5,7x6]	B[6x3,3x5,6x6]	7:6:	7:6:6:6:2:1:	7:6:6:6:6:5:2:	B[6x3,3x5,6x6]-7:B[4x3,5,5,7x6]-6:	B[6x3,3x5,6x6]-7:B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H-1:	B[6x3,3x5,8x6]-7:B[4x3,5,5,7x6]-6:B[5x3,5,6]-6:B[5x3,5,5,4x6]-6:B[5x3,5,5]-6:B[3x3,5,5,6,6]-5:H[3]-2:	H[3](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6])(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]H)	B[4x3,5,5,7x6](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2B[6x3,3x5,6x6]B[6x3,3x5,8x6]H)(H[3]B[6x3,3x5,6x6])(H)	B[6x3,3x5,6x6](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,8x6]B[3x3,5,6]B[5x3,5,5]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[6x3,3x5,8x6]H)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]N[6])(H[3]B[4x3,5,5,7x6])	H[3](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6])(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]H)	B[4x3,5,5,7x6](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,8x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2B[6x3,3x5,6x6]B[6x3,3x5,8x6]H)(H[3]B[6x3,3x5,6x6])(H){1|N<3>,2|B<5>,2|H<2>,3|B<6>,5|H<1>}	B[6x3,3x5,6x6](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,8x6]B[3x3,5,6]B[5x3,5,5]H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[6x3,3x5,8x6]H)(B[5x3,5,5]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[5x3,5,6]2H)(B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]N[6])(H[3]B[4x3,5,5,7x6]){1|B<5>,2|B<6>,2|C<3>,3|H<2>,8|H<1>}	89.8468	0.000	1	89.8468	0.000	1	89.8468	0.000	1	89.8468	0.000	1	89.8468	0.000	1	91.5005	5.469	2
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[3x3,5]	B[3x3,5]	5:6:	6:5:4:2:1:1:	6:6:6:2:1:	B[3x3,5]-5:B[3x3,5]-6:	B[5x3]-6:B[3x3,5]-5:B[3,3,5]-4:H[3]-2:H-1:H-1:	B[4x3,5,5]-6:B[5x3]-6:B[3x3,5]-6:H[3]-2:H-1:	H[3](B[3x3,5]B[4x3,5,5]B[3x3,5]B[5x3]H)(B[3x3,5]B[3,3,5]B[3x3,5]B[5x3]HH)	B[3x3,5](B[5x3]B[4x3,5,5]2B[3,3,5]B[3x3,5]H)(B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)(B[3,3,5]B[4x3,5,5]B[5x3]H)(H[3]B[3x3,5])(H)2	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3x3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3,3,5]B[3x3,5]H)(B[3x3,5]B[3,3,5]B[5x3]H[3]HH)(H[3]B[3x3,5])(H)	H[3](B[3x3,5]B[4x3,5,5]B[3x3,5]B[5x3]H)(B[3x3,5]B[3,3,5]B[3x3,5]B[5x3]HH)	B[3x3,5](B[5x3]B[4x3,5,5]2B[3,3,5]B[3x3,5]H)(B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)(B[3,3,5]B[4x3,5,5]B[5x3]H)(H[3]B[3x3,5])(H)2{1|B<6>,2|B<5>,2|H<1>}	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3x3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3,3,5]B[3x3,5]H)(B[3x3,5]B[3,3,5]B[5x3]H[3]HH)(H[3]B[3x3,5])(H){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	97.9571	0.000	1	97.9571	0.000	1	97.9571	0.000	1	97.9571	0.000	1	97.9571	0.000	1	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,5,7x6]	B[3x3,5,4x6]	6:5:	6:6:5:5:2:1:	6:6:5:2:1:	B[4x3,5,5,7x6]-6:B[3x3,5,4x6]-5:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3x3,5,5,7x6]-5:B[3x3,5,4x6]-5:H[3]-2:H-1:	B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:H[3]-2:H-1:	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3x3,5,4x6]H)(B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2B[3x3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]C)(B[3x3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H[3]H)(H[3]B[3x3,5,4x6])(H)	B[3x3,5,4x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(H[3]B[4x3,5,5,7x6])(H)	H[3](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3x3,5,4x6]H)(B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H)	B[4x3,5,5,7x6](B[5x3,3x5,6,6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2C[3x3,5,5,7x6]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2B[3x3,5,4x6]H)(C[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]C)(B[3x3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H[3]H)(H[3]B[3x3,5,4x6])(H){1|B<5>,1|C<4>,3|H<1>}	B[3x3,5,4x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H[3]H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(H[3]B[4x3,5,5,7x6])(H){1|B<6>,2|C<4>,3|H<1>}	87.6918	0.000	1	87.6918	0.000	1	87.6918	0.000	1	87.6918	0.000	1	87.6918	0.000	1	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:Cl-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]Cl)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(Cl)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2Cl)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]Cl)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(Cl){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2Cl)(H[3]B[4x3,5,6])(H){1|H<2>,2|B<6>,4|H<1>}	92.7302	0.000	1	92.7302	0.000	1	92.7302	0.000	1	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|Cl<1>,1|B<6>,2|B<5>,2|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,2|B<5>,4|H<1>}	87.1418	0.000	1	87.1418	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){3|B<6>,4|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|Co<7>,3|H<1>,4|B<6>}	92.9820	0.000	1	92.9820	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[5x3,4x5,13x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){3|B<6>,4|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[5x3,4x5,13x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|C<5>,3|H<1>,4|B<6>}	90.9111	0.000	1	90.9111	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,1|S<2>,2|B<6>,3|H<1>}	88.8056	1.256	2	89.3828	1.005	4	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,2|B<6>,2|H<1>,2|S<2>}	90.1905	0.000	1	89.3828	1.005	4	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,2|B<6>,4|H<1>}	89.7294	0.000	1	89.3828	1.005	4	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<7>,1|H<2>,2|B<6>,3|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[4x3,5,5,5x6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|Ni<9>,1|B<7>,3|B<6>,3|H<1>}	83.8218	0.000	1	83.8218	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]S)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]S)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]S)(B[4x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,1|S<2>,2|B<6>,2|H<1>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[4x3,5,6]B[5x3,5,5]S)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,1|S<2>,2|B<6>,3|H<1>}	91.2037	0.000	1	91.2037	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:1:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[4x3,5,5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[4x3,5,6]-6:H[3]-2:H-1:	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,5])(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[4x3,5,6]B[5x3,5,5])(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H)	H[3](B[4x3,5,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[4x3,5,6]B[5x3,5,6]H)	B[4x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[3x3,5,6]B[5x3,5,5])(B[4x3,5,5,6,6]B[3x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]H[3]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[4x3,5,5,6,6])(H[3]B[3x3,5,6])(H){1|S<3>,2|B<5>,2|H<1>,6|B<6>}	B[3x3,5,6](B[5x3,5,6]B[4x3,3x5,6,6]B[4x3,5,5,6,6]B[5x3,5,5,4x6]B[4x3,5,6]B[5x3,5,5])(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[4x3,5,6]B[4x3,5,5,6,6]B[5x3,5,6]H[3]2H)(H[3]B[4x3,5,6])(H){1|H<2>,2|B<5>,4|H<1>,5|B<6>}	87.2296	0.000	1	87.2296	0.000	1	89.0821	6.811	10	89.4137	7.340	11	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6]	B[3x3,5,6]	6:5:	6:6:5:2:2:1:	6:6:6:2:4:	B[4x3,5,6]-6:B[3x3,5,6]-5:	B[5x3,5]-6:B[4x3,5,5,6]-6:B[3x3,5,6]-5:H[3]-2:H[3]-2:H-1:	B[5x3,5]-6:B[3x3,5,5,6]-6:B[4x3,5,6]-6:H[3]-2:C-4:	H[3](B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,5]C)	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H)(B[4x3,5,5,6]B[5x3,3x5,8x6]B[5x3,5]2H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]C)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[4x3,5,6]B[5x3,5]H)(B[3x3,5,5,6]B[4x3,5,5,5x6]B[5x3,5]2HH)(B[4x3,5,6]B[4x3,5,5,6]B[5x3,5]H[3]2H)(H[3]B[4x3,5,6])(CH3)	H[3](B[4x3,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[4x3,5,6]B[5x3,5]C)	B[4x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[3x3,5,6]B[5x3,5]H)(B[4x3,5,5,6]B[5x3,3x5,8x6]B[5x3,5]2H[3]H)(B[3x3,5,6]B[3x3,5,5,6]B[5x3,5]H[3]C)(H[3]B[4x3,5,5,6])(H[3]B[3x3,5,6])(H){3|H<1>,4|B<6>}	B[3x3,5,6](B[5x3,5]B[3x3,5,5,6]B[4x3,5,5,6]B[4x3,5,6]B[5x3,5]H)(B[3x3,5,5,6]B[4x3,5,5,5x6]B[5x3,5]2HH)(B[4x3,5,6]B[4x3,5,5,6]B[5x3,5]H[3]2H)(H[3]B[4x3,5,6])(CH3){1|Pt<6>,2|H<1>,3|B<6>}	86.5226	0.000	1	86.5226	0.000	1	86.5226	0.000	1	86.5226	0.000	1	89.1728	7.369	12	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5]	B[3x3,5]	5:6:	5:5:6:2:2:1:	6:6:6:2:1:	B[3x3,5]-5:B[4x3,5]-6:	B[3x3,5]-5:B[3x3,5]-5:B[5x3]-6:H[3]-2:H[3]-2:Br-1:	B[4x3,5,5]-6:B[5x3]-6:B[4x3,5]-6:H[3]-2:H-1:	H[3](B[3x3,5]B[4x3,5,5]B[4x3,5]B[5x3]H)(B[4x3,5]B[3x3,5]2B[5x3]H[3]Br)	B[4x3,5](B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)2(B[5x3]B[4x3,5,5]2B[3x3,5]2H)(H[3]B[3x3,5])2(Br)	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3,3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3x3,5]B[4x3,5]H)(B[4x3,5]B[3x3,5]B[5x3]H[3]2Br)(H[3]B[4x3,5])(H)	H[3](B[3x3,5]B[4x3,5,5]B[4x3,5]B[5x3]H)(B[4x3,5]B[3x3,5]2B[5x3]H[3]Br)	B[4x3,5](B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)2(B[5x3]B[4x3,5,5]2B[3x3,5]2H)(H[3]B[3x3,5])2(Br){1|B<4>,1|B<5>,1|B<6>,2|H<1>}	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3,3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3x3,5]B[4x3,5]H)(B[4x3,5]B[3x3,5]B[5x3]H[3]2Br)(H[3]B[4x3,5])(H){1|B<5>,1|B<6>,4|H<1>}	87.1454	0.000	1	87.1454	0.000	1	91.2311	33.387	2	91.2311	33.387	2	91.2311	33.387	2	89.8866	12.942	16
968	18	442	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5]	B[3x3,5]	5:6:	5:5:6:2:2:1:	6:6:6:2:1:	B[3x3,5]-5:B[4x3,5]-6:	B[3x3,5]-5:B[3x3,5]-5:B[5x3]-6:H[3]-2:H[3]-2:Br-1:	B[4x3,5,5]-6:B[5x3]-6:B[4x3,5]-6:H[3]-2:H-1:	H[3](B[3x3,5]B[4x3,5,5]B[4x3,5]B[5x3]H)(B[4x3,5]B[3x3,5]2B[5x3]H[3]Br)	B[4x3,5](B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)2(B[5x3]B[4x3,5,5]2B[3x3,5]2H)(H[3]B[3x3,5])2(Br)	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3x3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3x3,5]B[4x3,5]H)(B[4x3,5]B[3x3,5]B[5x3]H[3]2Br)(H[3]B[4x3,5])(H)	H[3](B[3x3,5]B[4x3,5,5]B[4x3,5]B[5x3]H)(B[4x3,5]B[3x3,5]2B[5x3]H[3]Br)	B[4x3,5](B[3x3,5]B[4x3,5,5]B[5x3]H[3]H)2(B[5x3]B[4x3,5,5]2B[3x3,5]2H)(H[3]B[3x3,5])2(Br){1|B<4>,1|B<5>,1|B<6>,2|H<1>}	B[3x3,5](B[4x3,5,5]B[4x3,5,5]B[3x3,5]B[5x3]2H)(B[5x3]B[4x3,5,5]2B[3x3,5]B[4x3,5]H)(B[4x3,5]B[3x3,5]B[5x3]H[3]2Br)(H[3]B[4x3,5])(H){1|B<4>,1|B<6>,1|H<2>,4|H<1>}	95.3169	0.000	1	95.3169	0.000	1	91.2311	33.387	2	91.2311	33.387	2	91.2311	33.387	2	89.8866	12.942	16
968	26	920	0:SP-NON_SP1_SP3	H[3]	C[3]	O[3]	4:2:	4:2:	2:2:1:1:	O[3]-4:C[3]-2:	O[3]-4:H[3]-2:	C[3]-2:H[3]-2:H-1:H-1:	H[3](O[3]C[3]HH)(C[3]O[3])	C[3](O[3]H[3]HH)(H[3]O[3])	O[3](C[3]H[3])(H[3]C[3])(H)2	H[3](O[3]C[3]HH)(C[3]O[3])	C[3](O[3]H[3]HH)(H[3]O[3])	O[3](C[3]H[3])(H[3]C[3])(H)2	70.1001	0.000	1	70.1001	0.000	1	70.1001	0.000	1	70.1001	0.000	1	70.1001	0.000	1	70.1001	0.000	1
968	27	27	0:SP-NON_SPD6_SPD6	H[3]	B[4x3,5,5,6,3x6a]	B[3x3,5,6,6a,6a]	6:6:	6:6:6:5:2:1:	6:5:6:2:1:1:	B[3x3,5,6,6a,6a]-6:B[4x3,5,5,6,3x6a]-6:	B[5x3,5,5a,6a]-6:B[5x3,5,5a,6a]-6:B[3x3,5,6,6a,6a]-6:B[3,3,5,6,6a,6a]-5:H[3]-2:H-1:	B[5x3,5,5a,6a]-6:B[3,3,3a,5,5a,6,3x6a]-5:B[4x3,5,5,6,3x6a]-6:H[3]-2:H-1:H-1:	H[3](B[3x3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]HH)(B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]2H)	B[4x3,5,5,6,3x6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H[3]B[3x3,5,6,6a,6a])(H)	B[3x3,5,6,6a,6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]2H[3]H)(H[3]B[4x3,5,5,6,3x6a])(H)2	H[3](B[3x3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]HH)(B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]2H)	B[4x3,5,5,6,3x6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H[3]B[3x3,5,6,6a,6a])(H){1|N<4>,2|C<3>,3|H<1>}	B[3x3,5,6,6a,6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]2H[3]H)(H[3]B[4x3,5,5,6,3x6a])(H)2{1|B<5>,1|N<3>,4|H<1>}	93.6512	0.000	1	93.6512	0.000	1	93.6512	0.000	1	93.6512	0.000	1	93.6512	0.000	1	93.6512	0.000	1
968	27	663	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6a]	B[3,3,4a,6a]	6:5:	6:6:5:6:2:1:	6:6:4:2:1:	B[4x3,5,6a]-6:B[3,3,4a,6a]-5:	B[4x3,4a,5]-6:B[5x3,6a]-6:B[3,3,4a,6a]-5:B[3,3,5]-6:H[3]-2:H-1:	B[4x3,5,6a]-6:B[4x3,4a,5]-6:N[4a,6a]-4:H[3]-2:H-1:	H[3](B[4x3,5,6a]B[3,3,4a,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]N[4a,6a]H)	B[4x3,5,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[5x3,6a]B[4x3,4a,5]B[4x3,5,6a]B[3,3,5]B[3x3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]N[4a,6a]H[3]H)(B[3,3,5]B[5x3,6a]B[3x3,5]RhHH)(H[3]B[3,3,4a,6a])(H)	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H)	H[3](B[4x3,5,6a]B[3,3,4a,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]N[4a,6a]H)	B[4x3,5,6a](B[4x3,4a,5]B[3,3,4a,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[5x3,6a]B[4x3,4a,5]B[4x3,5,6a]B[3,3,5]B[3x3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]N[4a,6a]H[3]H)(B[3,3,5]B[5x3,6a]B[3x3,5]RhHH)(H[3]B[3,3,4a,6a])(H){1|B<5>,2|C<4>,3|H<1>}	B[3,3,4a,6a](B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[3,3,5]H[3]H)(B[4x3,4a,5]B[4x3,5,6a]2B[3,4a,6a]B[5x3,6a]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H){1|Rh<10>,1|B<5>,1|B<6>,1|H<2>,4|H<1>}	90.7125	0.000	1	90.7125	0.000	1	90.7125	0.000	1	90.7125	0.000	1	89.9245	1.242	2	89.9245	1.242	2
968	27	663	0:SP-NON_SPD5_SPD6	H[3]	B[4x3,5,6a]	B[3,3,4a,6a]	6:5:	6:6:6:5:2:1:	6:6:4:2:1:	B[4x3,5,6a]-6:B[3,3,4a,6a]-5:	B[4x3,4a,5]-6:B[5x3,6a]-6:B[4x3,5]-6:B[3,3,4a,6a]-5:H[3]-2:H-1:	B[4x3,4a,5]-6:B[4x3,5,6a]-6:N[4a,6a]-4:H[3]-2:H-1:	H[3](B[4x3,5,6a]B[3,3,4a,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]N[4a,6a]H)	B[4x3,5,6a](B[4x3,4a,5]B[3,3,4a,6a]B[3x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[5x3,6a]B[3x3,5,6a]B[4x3,4a,5]B[3x3,5]B[4x3,5]H)(B[4x3,5]B[5x3,6a]B[3x3,5]B[3,3]H[3]H)(B[3,3,4a,6a]B[4x3,4a,5]N[4a,6a]H[3]H)(H[3]B[3,3,4a,6a])(H)	B[3,3,4a,6a](B[4x3,4a,5]B[3x3,5,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H[3]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H)	H[3](B[4x3,5,6a]B[3,3,4a,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H)(B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]N[4a,6a]H)	B[4x3,5,6a](B[4x3,4a,5]B[3,3,4a,6a]B[3x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[5x3,6a]B[3x3,5,6a]B[4x3,4a,5]B[3x3,5]B[4x3,5]H)(B[4x3,5]B[5x3,6a]B[3x3,5]B[3,3]H[3]H)(B[3,3,4a,6a]B[4x3,4a,5]N[4a,6a]H[3]H)(H[3]B[3,3,4a,6a])(H){1|Rh<10>,1|H<2>,2|C<4>,4|H<1>}	B[3,3,4a,6a](B[4x3,4a,5]B[3x3,5,6a]B[4x3,5,6a]B[3,4a,6a]B[5x3,6a]H)(B[4x3,5,6a]B[4x3,4a,5]B[5x3,6a]B[4x3,5]H[3]H)(N[4a,6a]B[3,4a,6a]CC)(H[3]B[4x3,5,6a])(H){1|Rh<10>,1|H<2>,2|B<6>,4|H<1>}	89.1365	0.000	1	89.1365	0.000	1	89.1365	0.000	1	89.1365	0.000	1	89.9245	1.242	2	89.9245	1.242	2
968	114	362	0:SP-NON_SPD6_SPD8	H[3]	C[5x3,6]	C[4x3,6]	8:6:	6:7:6:3:2:2:1:1:	7:8:7:2:2:1:	C[5x3,6]-8:C[4x3,6]-6:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	H[3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3,3]H[3]HH)(C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	H[3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3,3]H[3]HH)(C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	72.6408	0.000	1	72.6408	0.000	1	72.6408	0.000	1	72.6408	0.000	1	72.6408	0.000	1	72.6408	0.000	1
968	114	398	0:SP-NON_SP-NON_SPD8	H[3]	C[5x3,6]	H[3,3]	8:3:	6:7:6:3:2:2:1:1:	8:6:2:	C[5x3,6]-8:H[3,3]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:H[3]-2:	H[3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3,3]H[3]HH)(H[3,3]C[3x3,6]C[5x3,6])	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	H[3,3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]C[6x3]HH)(H[3]C[5x3,6])	H[3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3,3]H[3]HH)(H[3,3]C[3x3,6]C[5x3,6])	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	H[3,3](C[5x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]C[6x3]HH)(H[3]C[5x3,6])	94.7120	0.000	1	94.7120	0.000	1	94.7120	0.000	1	94.7120	0.000	1	94.7120	0.000	1	95.8829	2.742	2
968	114	398	0:SP-NON_SP-NON_SPD8	H[3]	C[5x3]	H[3,3]	8:3:	7:7:5:3:2:2:1:1:	8:5:2:	C[5x3]-8:H[3,3]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[5x3]-8:C[3x3]-5:H[3]-2:	H[3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3,3]H[3]HH)(H[3,3]C[3x3]C[5x3])	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	H[3,3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]C[5x3]H[3]H)(H[3]C[5x3])	H[3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3,3]H[3]HH)(H[3,3]C[3x3]C[5x3])	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H[3,3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]C[5x3]H[3]H)(H[3]C[5x3])	97.0539	0.000	1	97.0539	0.000	1	97.0539	0.000	1	97.0539	0.000	1	97.0539	0.000	1	95.8829	2.742	2
968	114	778	0:SP-NON_SPD5_SPD8	H[3]	C[5x3]	C[3x3]	8:5:	7:7:5:3:2:2:1:1:	7:8:3:2:1:	C[5x3]-8:C[3x3]-5:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	H[3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3,3]H[3]HH)(C[3x3]C[4x3,4,4]C[5x3]H[3,3]H)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	H[3](C[5x3]C[4x3,4,4]C[3x3]C[4x3]H[3,3]H[3]HH)(C[3x3]C[4x3,4,4]C[5x3]H[3,3]H)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	55.1113	0.000	1	55.1113	0.000	1	55.1113	0.000	1	55.1113	0.000	1	55.1113	0.000	1	55.1113	0.000	1
968	234	778	0:SP-NON_SP3_SPD5	H[3]	N[3]	C[3]	5:4:	5:2:4:1:	4:2:1:1:1:	C[3]-5:N[3]-4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H[3]-2:H-1:H-1:H-1:	H[3](C[3]N[3]H3)(N[3]C[3]CH)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	H[3](C[3]N[3]H3)(N[3]C[3]CH)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	88.8621	0.000	1	88.8621	0.000	1	88.8621	0.000	1	88.8621	0.000	1	88.8621	0.000	1	88.8621	0.000	1
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3,6]	C[4x3,6]	7:7:	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	C[4x3,6]-7:C[4x3,6]-7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	67.9994	5.024	2	67.9994	25.241	2	67.9994	25.241	2	67.9994	25.241	2	65.2030	19.312	4	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3,6]	C[4x3,6]	7:7:	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	C[4x3,6]-7:C[4x3,6]-7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	62.4065	1.189	2	62.4065	1.415	2	62.4065	1.415	2	62.4065	1.415	2	65.2030	19.312	4	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3]	C[3x3]	7:7:	7:7:2:2:2:1:1:	7:7:3:2:2:1:1:	C[4x3]-7:C[3x3]-7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	72.1559	1.365	2	72.1559	1.862	2	72.1559	1.862	2	72.1559	1.862	2	72.1559	1.862	2	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3]	C[4x3]	7:7:	7:2:2:2:2:2:1:	7:2:2:2:2:2:1:	C[4x3]-7:C[4x3]-7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	80.6499	0.429	2	80.6499	0.184	2	80.6499	0.184	2	80.6499	0.184	2	73.9840	102.491	6	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3]	C[4x3]	7:7:	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	C[4x3]-7:C[4x3]-7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	60.9271	0.308	2	60.9271	0.095	2	60.9271	0.095	2	60.9271	0.095	2	73.9840	102.491	6	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[4x3]	C[4x3]	7:7:	7:7:7:2:2:1:1:	7:8:7:2:2:1:1:	C[4x3]-7:C[4x3]-7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	80.3748	0.812	2	80.3748	0.659	2	80.3748	0.659	2	80.3748	0.659	2	73.9840	102.491	6	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[5x3,6]	C[3x3,6]	7:7:	7:7:7:2:2:2:1:	7:7:7:2:1:1:1:	C[5x3,6]-7:C[3x3,6]-7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	81.3335	0.000	1	81.3335	0.000	1	81.3335	0.000	1	81.3335	0.000	1	81.3335	0.000	1	71.6988	62.502	15
968	238	238	0:SP-NON_SPD7_SPD7	H[3]	C[5x3,6]	C[4x3,4,6]	7:7:	7:7:7:2:2:2:1:	7:6:7:2:2:2:1:	C[4x3,4,6]-7:C[5x3,6]-7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	72.5607	2.816	2	72.5607	7.931	2	72.5607	7.931	2	72.5607	7.931	2	72.5607	7.931	2	71.6988	62.502	15
968	238	362	0:SP-NON_SPD6_SPD7	H[3]	C[3x3,3x4,5,5]	C[3x3,4,5,5]	7:6:	6:6:5:6:2:2:1:	7:6:5:2:2:1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	61.2349	6.094	2	61.2349	37.132	2	61.2349	37.132	2	61.2349	37.132	2	61.2349	37.132	2	70.8848	72.083	7
968	238	362	0:SP-NON_SPD6_SPD7	H[3]	C[3x3,6]	C[4x3,6]	6:7:	7:7:6:2:1:1:1:	7:8:7:2:2:1:	C[4x3,6]-6:C[3x3,6]-7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	77.3863	0.000	1	77.3863	0.000	1	77.3863	0.000	1	77.3863	0.000	1	77.3863	0.000	1	70.8848	72.083	7
968	238	362	0:SP-NON_SPD6_SPD7	H[3]	C[4x3]	C[3x3]	7:6:	7:7:6:2:2:1:1:	7:7:2:2:1:1:	C[4x3]-7:C[3x3]-6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	74.0844	6.478	4	74.0844	41.968	4	74.0844	41.968	4	74.0844	41.968	4	74.0844	41.968	4	70.8848	72.083	7
968	238	398	0:SP-NON_SP-NON_SPD7	H[3]	C[3,3,3x4]	H[3,4,4]	7:3:	7:7:3:2:2:1:1:	7:4:2:	C[3,3,3x4]-7:H[3,4,4]-3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	82.6297	0.000	1	82.6297	0.000	1	82.6297	0.000	1	82.6297	0.000	1	82.6297	0.000	1	82.0533	310.739	4
968	238	398	0:SP-NON_SP-NON_SPD7	H[3]	C[4x3,4,6]	H[3,3]	7:3:	7:7:6:3:2:2:1:	7:6:2:	C[4x3,4,6]-7:H[3,3]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	82.0533	310.739	4
968	238	398	0:SP-NON_SP-NON_SPD7	H[3]	C[4x3]	H[3,3]	7:3:	6:5:5:3:2:1:1:	7:5:2:	C[4x3]-7:H[3,3]-3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	76.8541	0.000	1	76.8541	0.000	1	76.8541	0.000	1	76.8541	0.000	1	76.8541	0.000	1	82.0533	310.739	4
968	238	398	0:SP-NON_SP-NON_SPD7	H[3]	C[6x3,4,4]	H[3,3]	7:3:	6:5:4:4:3:2:1:	5:7:2:	C[6x3,4,4]-7:H[3,3]-3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	63.2203	0.000	1	63.2203	0.000	1	63.2203	0.000	1	63.2203	0.000	1	63.2203	0.000	1	82.0533	310.739	4
968	238	778	0:SP-NON_SPD5_SPD7	H[3]	C[3x3,3x4]	C[4x3]	7:5:	5:5:5:2:2:2:1:	7:5:2:2:2:	C[3x3,3x4]-7:C[4x3]-5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	89.9813	7.975	2	89.9813	63.607	2	89.9813	63.607	2	89.9813	63.607	2	89.9813	63.607	2	89.9813	63.607	2
968	238	968	0:SP-NON_SP-NON_SPD7	H[3]	C[3]	H[3]	7:2:	2:2:3:1:1:1:1:	7:2:	C[3]-7:H[3]-2:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](H[3]H[3])2(NC[6a]C)(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](H[3]H[3])2(NC[6a]C)(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	71.9006	7.495	2	71.9006	56.180	2	71.9006	56.180	2	71.9006	56.180	2	71.7694	175.462	8	71.7694	175.462	8
968	238	968	0:SP-NON_SP-NON_SPD7	H[3]	C[3]	H[3]	7:2:	3:2:2:1:1:1:1:	7:2:	C[3]-7:H[3]-2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	68.8298	0.329	2	68.8298	0.108	2	68.8298	0.108	2	71.7256	234.401	6	71.7694	175.462	8	71.7694	175.462	8
968	238	968	0:SP-NON_SP-NON_SPD7	H[3]	C[3]	H[3]	7:2:	3:2:2:1:1:1:1:	7:2:	C[3]-7:H[3]-2:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	73.1735	19.551	4	73.1735	382.247	4	73.1735	382.247	4	71.7256	234.401	6	71.7694	175.462	8	71.7694	175.462	8
968	362	362	0:SP-NON_SPD6_SPD6	H[3]	C[3x3]	C[3x3]	6:6:	6:4:2:2:1:1:	6:4:2:2:1:1:	C[3x3]-6:C[3x3]-6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	63.6330	6.181	2	63.6330	38.202	2	63.6330	38.202	2	63.6330	38.202	2	76.7722	247.455	4	76.7722	247.455	4
968	362	362	0:SP-NON_SPD6_SPD6	H[3]	C[3x3]	C[3x3]	6:6:	6:4:2:2:4:1:	6:4:2:2:4:1:	C[3x3]-6:C[3x3]-6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	89.9113	3.689	2	89.9113	13.609	2	89.9113	13.609	2	89.9113	13.609	2	76.7722	247.455	4	76.7722	247.455	4
968	362	374	0:SP-NON_SP3_SPD6	H[3]	C[3,3,4,4]	O[3,3]	6:3:	4:3:3:3:2:4:	6:3:2:	C[3,3,4,4]-6:O[3,3]-3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	72.2713	0.000	1	72.2713	0.000	1	72.2713	0.000	1	72.2713	0.000	1	72.2713	0.000	1	72.2713	0.000	1
968	362	398	0:SP-NON_SP-NON_SPD6	H[3]	C[3,6x4]	H[3,3x4]	6:3:	7:3:2:2:2:1:	6:5:2:	C[3,6x4]-6:H[3,3x4]-3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	86.8955	0.000	1	86.8955	0.000	1	86.8955	0.000	1	86.8955	0.000	1	86.8955	0.000	1	88.0820	470.395	4
968	362	398	0:SP-NON_SP-NON_SPD6	H[3]	C[3,7x4]	H[3,3x4]	6:3:	3:3:3:2:2:1:	6:6:2:	C[3,7x4]-6:H[3,3x4]-3:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:H[3]-2:	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	94.7790	0.000	1	94.7790	0.000	1	94.7790	0.000	1	94.7790	0.000	1	94.7790	0.000	1	88.0820	470.395	4
968	362	398	0:SP-NON_SP-NON_SPD6	H[3]	C[3x3]	H[3,3]	6:3:	6:5:3:2:1:1:	6:6:2:	C[3x3]-6:H[3,3]-3:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	88.0820	470.395	4
968	362	398	0:SP-NON_SP-NON_SPD6	H[3]	C[4x3,4,4,5]	H[3,4,4,5]	6:3:	7:5:4:3:2:1:	6:4:2:	C[4x3,4,4,5]-6:H[3,4,4,5]-3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	59.3484	0.000	1	59.3484	0.000	1	59.3484	0.000	1	59.3484	0.000	1	59.3484	0.000	1	88.0820	470.395	4
968	362	486	0:SP-NON_SP3_SPD6	H[3]	C[3,3]	C[3,3]	6:4:	4:3:2:1:1:1:	6:3:2:1:	C[3,3]-6:C[3,3]-4:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	79.8374	0.000	1	79.8374	0.000	1	79.8374	0.000	1	79.8374	0.000	1	79.8374	0.000	1	79.8374	0.000	1
968	362	778	0:SP-NON_SPD5_SPD6	H[3]	C[3,3]	C[3,3]	6:5:	5:8:2:4:1:1:	6:8:2:1:1:	C[3,3]-6:C[3,3]-5:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C[3,3]-8:H[3]-2:H-1:H-1:	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2{1|C<4>,1|H<2>,4|H<1>}	89.6920	0.000	1	89.6920	0.000	1	89.6920	0.000	1	89.6920	0.000	1	89.6920	0.000	1	84.2576	109.872	5
968	362	778	0:SP-NON_SPD5_SPD6	H[3]	C[3,4,6]	C[3,4]	6:5:	6:5:2:2:1:1:	6:2:2:1:1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[3]-2:H[4]-2:H-1:H-1:	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2{1|C<3>,1|H<1>,1|S<2>,2|H<2>}	95.0639	0.000	1	95.0639	0.000	1	95.0639	0.000	1	95.0639	0.000	1	95.0639	0.000	1	84.2576	109.872	5
968	362	778	0:SP-NON_SPD5_SPD6	H[3]	C[3]	C[3]	6:5:	5:2:4:2:1:1:	6:2:1:1:1:	C[3]-6:C[3]-5:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H[3]-2:H-1:H-1:H-1:	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	90.3194	0.000	1	90.3194	0.000	1	90.3194	0.000	1	90.3194	0.000	1	90.3194	0.000	1	84.2576	109.872	5
968	362	778	0:SP-NON_SPD5_SPD6	H[3]	C[3x3]	C[3,3,3x4]	6:5:	7:5:6:2:1:1:	7:6:2:2:2:	C[3x3]-6:C[3,3,3x4]-5:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	71.1396	0.000	1	71.1396	0.000	1	71.1396	0.000	1	71.1396	0.000	1	71.1396	0.000	1	84.2576	109.872	5
968	362	778	0:SP-NON_SPD5_SPD6	H[3]	C[3x3]	C[3,3]	6:5:	7:6:5:2:1:1:	7:6:2:1:1:	C[3x3]-6:C[3,3]-5:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	75.0732	0.000	1	75.0732	0.000	1	75.0732	0.000	1	75.0732	0.000	1	75.0732	0.000	1	84.2576	109.872	5
968	362	968	0:SP-NON_SP-NON_SPD6	H[3]	C[3,4,6]	H[3]	6:2:	6:2:2:2:2:1:	6:2:	C[3,4,6]-6:H[3]-2:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:H[3]-2:	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	71.4534	0.842	2	71.4534	0.709	2	71.4534	0.709	2	71.4534	0.709	2	71.4534	0.709	2	71.4534	0.709	2
968	366	962	0:SP-NON_SP3_SPD5	H[3]	P[3]	O[3]	5:2:	4:2:2:1:1:	5:2:	P[3]-5:O[3]-2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:H[3]-2:	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O[3](P[3]C[5]H[3]OO)(H[3]P[3])	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O[3](P[3]C[5]H[3]OO)(H[3]P[3]){1|C<3>,1|C<4>,1|O<2>}	78.8706	0.000	1	78.8706	0.000	1	78.8706	0.000	1	78.8706	0.000	1	78.8706	0.000	1	78.8706	0.000	1
968	374	486	0:SP-NON_SP3_SP3	H[3]	O[3]	C[3]	4:3:	4:2:4:	3:2:3:1:	C[3]-4:O[3]-3:	C[3]-4:H[3]-2:C-4:	O[3]-3:H[3]-2:C-3:H-1:	H[3](C[3]O[3]CH)(O[3]C[3]C)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	H[3](C[3]O[3]CH)(O[3]C[3]C)	O[3](C[3]H[3]CH)(H[3]C[3])(CCHH)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	75.8485	0.000	1	75.8485	0.000	1	75.8485	0.000	1	75.8485	0.000	1	75.8485	0.000	1	75.8485	0.000	1
968	382	442	0:SP-NON_SPD5_SPD7	H[3]	B[6x3,3x5,8x6]	B[3x3,5,6]	7:5:	7:6:6:6:6:5:2:	7:6:6:2:1:	B[6x3,3x5,8x6]-7:B[3x3,5,6]-5:	B[6x3,3x5,6x6]-7:B[4x3,5,5,7x6]-6:B[5x3,5,6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,6]-5:H[3]-2:	B[6x3,3x5,8x6]-7:B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:H[3]-2:H-1:	H[3](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,6])(B[3x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,8x6]B[5x3,5,6]H)	B[6x3,3x5,8x6](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[6x3,3x5,6x6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])	B[3x3,5,6](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[5x3,5,6]H[3])(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[6x3,3x5,8x6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(H[3]B[6x3,3x5,8x6])(H)	H[3](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,6])(B[3x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,8x6]B[5x3,5,6]H)	B[6x3,3x5,8x6](B[6x3,3x5,6x6]B[3x3,5,5,6,6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]B[5x3,5,5]B[5x3,5,6]H[3])(B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[4x3,5,4x6]H[3]H)(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2B[6x3,3x5,6x6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6]){1|H<2>,1|N<3>,2|B<5>,2|B<6>,6|H<1>}	B[3x3,5,6](B[6x3,3x5,8x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[6x3,3x5,6x6]B[5x3,5,6]H[3])(B[5x3,5,6]B[4x3,3x5,6,6]B[6x3,3x5,6x6]B[6x3,3x5,8x6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(H[3]B[6x3,3x5,8x6])(H){2|B<5>,3|H<2>,4|B<6>,6|H<1>}	88.7054	0.000	1	88.7054	0.000	1	88.7054	0.000	1	88.7054	0.000	1	88.7054	0.000	1	88.7054	0.000	1
968	398	778	0:SP-NON_SP-NON_SPD5	H[3]	H[3,4,4]	C[3x3,4,4]	5:3:	5:5:2:	5:5:3:2:2:	C[3x3,4,4]-5:H[3,4,4]-3:	C[3x3,4,4]-5:C[3,4,4]-5:H[3]-2:	O[3x3,4,4,5]-5:O[4x3,4]-5:H[3,4,4]-3:H[3]-2:H[3]-2:	H[3](C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H[3])(H[3,4,4]C[3x3,4,4]C[3,4,4])	H[3,4,4](C[3x3,4,4]O[3x3,4,4,5]O[4x3,4]H[3]2)(C[3,4,4]O[3x3,4,4,5]O[4x3,4]CH)(H[3]C[3x3,4,4])	C[3x3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]H[3])(H[3,4,4]C[3,4,4]H[3])(H[3]H[3,4,4])(H[3]O[4x3,4])	H[3](C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H[3])(H[3,4,4]C[3x3,4,4]C[3,4,4])	H[3,4,4](C[3x3,4,4]O[3x3,4,4,5]O[4x3,4]H[3]2)(C[3,4,4]O[3x3,4,4,5]O[4x3,4]CH)(H[3]C[3x3,4,4])	C[3x3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]H[3])(H[3,4,4]C[3,4,4]H[3])(H[3]H[3,4,4])(H[3]O[4x3,4]){1|C<4>,3|H<2>,4|H<1>}	82.1226	0.000	1	82.1226	0.000	1	82.1226	0.000	1	82.1226	0.000	1	82.1226	0.000	1	82.1226	0.000	1
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3,5]	B[3,3,5]	5:5:	3:5:2:2:1:	3:5:2:2:1:	B[3,3,5]-5:B[3,3,5]-5:	C[5,6a]-3:B[3,3,5]-5:H[3]-2:H[3]-2:H-1:	C[5,6a]-3:B[3,3,5]-5:H[3]-2:H[3]-2:H-1:	H[3](B[3,3,5]B[3,3,5]C[5,6a]H[3]H)2	B[3,3,5](C[5,6a]C[5,6a,6a]C[6a])(B[3,3,5]C[5,6a]H[3]2H)(H[3]B[3,3,5])2(H)	B[3,3,5](C[5,6a]C[5,6a,6a]C[6a])(B[3,3,5]C[5,6a]H[3]2H)(H[3]B[3,3,5])2(H)	H[3](B[3,3,5]B[3,3,5]C[5,6a]H[3]H)2	B[3,3,5](C[5,6a]C[5,6a,6a]C[6a])(B[3,3,5]C[5,6a]H[3]2H)(H[3]B[3,3,5])2(H){1|H<1>,3|C<3>}	B[3,3,5](C[5,6a]C[5,6a,6a]C[6a])(B[3,3,5]C[5,6a]H[3]2H)(H[3]B[3,3,5])2(H){1|H<1>,3|C<3>}	87.5189	0.012	2	87.5189	0.000	2	87.5189	0.000	2	87.5189	0.000	2	89.6373	7.174	4	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3,5]	B[3,3,5]	5:5:	5:3:2:2:3:	5:3:2:2:3:	B[3,3,5]-5:B[3,3,5]-5:	B[3,3,5]-5:C[5,6a]-3:H[3]-2:H[3]-2:C[6a]-3:	B[3,3,5]-5:C[5,6a]-3:H[3]-2:H[3]-2:C[6a]-3:	H[3](B[3,3,5]B[3,3,5]C[5,6a]C[6a]H[3])2	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2)	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2)	H[3](B[3,3,5]B[3,3,5]C[5,6a]C[6a]H[3])2	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	91.7558	1.890	2	91.7558	3.572	2	91.7558	3.572	2	91.7558	3.572	2	89.6373	7.174	4	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3,6,6]	B[3,3,6,6]	5:5:	5:3:3:2:2:	5:3:3:2:2:	B[3,3,6,6]-5:B[3,3,6,6]-5:	B[3,3,6,6]-5:C[6,6a]-3:C[6,6a]-3:H[3]-2:H[3]-2:	B[3,3,6,6]-5:C[6,6a]-3:C[6,6a]-3:H[3]-2:H[3]-2:	H[3](B[3,3,6,6]B[3,3,6,6]C[6,6a]2H[3])2	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2	H[3](B[3,3,6,6]B[3,3,6,6]C[6,6a]2H[3])2	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2{2|H<1>,8|C<3>}	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2{2|H<1>,8|C<3>}	89.3765	1.507	2	89.3765	2.271	2	89.3765	2.271	2	89.3765	2.271	2	89.3765	2.271	2	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3,6]	B[3,3,6]	5:5:	5:3:2:2:1:	5:3:2:2:1:	B[3,3,6]-5:B[3,3,6]-5:	B[3,3,6]-5:C[6,6a]-3:H[3]-2:H[3]-2:H-1:	B[3,3,6]-5:C[6,6a]-3:H[3]-2:H[3]-2:H-1:	H[3](B[3,3,6]B[3,3,6]C[6,6a]H[3]H)2	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H)	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H)	H[3](B[3,3,6]B[3,3,6]C[6,6a]H[3]H)2	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H){1|H<1>,4|C<3>}	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H){1|H<1>,4|C<3>}	87.6889	1.120	2	87.6889	1.255	2	87.6889	1.255	2	87.6889	1.255	2	87.6889	1.255	2	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	3:5:5:2:1:	5:5:2:1:1:	B[3,3]-5:B[3,3]-5:	C[6a]-3:B[3,3]-5:B[3]-5:H[3]-2:H-1:	B[3,3]-5:B[3]-5:H[3]-2:H-1:H-1:	H[3](B[3,3]B[3,3]C[6a]B[3]H)(B[3,3]B[3,3]B[3]HH)	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H)	B[3,3](B[3,3]C[6a]B[3]H[3]H)(B[3]B[3,3]HHP)(H[3]B[3,3])(H)2	H[3](B[3,3]B[3,3]C[6a]B[3]H)(B[3,3]B[3,3]B[3]HH)	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H){1|H<1>,3|C<3>}	B[3,3](B[3,3]C[6a]B[3]H[3]H)(B[3]B[3,3]HHP)(H[3]B[3,3])(H)2{2|C<3>}	89.6405	0.000	1	89.6405	0.000	1	89.6405	0.000	1	89.6405	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	4:5:3:3:2:	4:5:3:3:2:	B[3,3]-5:B[3,3]-5:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	H[3](B[3,3]B[3,3]C[3,5]C[6a]2)2	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	H[3](B[3,3]B[3,3]C[3,5]C[6a]2)2	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	95.2115	0.000	1	95.2115	0.000	1	95.2115	0.000	1	95.2115	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:2:2:3:1:	5:2:2:3:1:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:H[3]-2:H[3]-2:C[5]-3:H-1:	B[3,3]-5:H[3]-2:H[3]-2:C[5]-3:H-1:	H[3](B[3,3]B[3,3]C[5]H[3]H)2	B[3,3](B[3,3]C[5]H[3]2H)(H[3]B[3,3])2(C[5]N[5]2)(H)	B[3,3](B[3,3]C[5]H[3]2H)(H[3]B[3,3])2(C[5]N[5]2)(H)	H[3](B[3,3]B[3,3]C[5]H[3]H)2	B[3,3](B[3,3]C[5]H[3]2H)(H[3]B[3,3])2(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|N<3>}	B[3,3](B[3,3]C[5]H[3]2H)(H[3]B[3,3])2(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|N<3>}	90.9065	0.000	1	90.9065	0.000	1	90.9065	0.000	1	90.9065	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:3:2:2:1:	5:3:2:2:1:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[6a]-3:H[3]-2:H[3]-2:H-1:	B[3,3]-5:C[6a]-3:H[3]-2:H[3]-2:H-1:	H[3](B[3,3]B[3,3]C[6a]H[3]H)2	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H)	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H)	H[3](B[3,3]B[3,3]C[6a]H[3]H)2	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H){2|C<4>,4|C<3>}	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H){2|C<4>,4|C<3>}	91.9486	2.546	6	91.9486	6.483	6	91.9486	6.483	6	91.9486	6.483	6	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:3:3:2:2:	5:3:3:2:2:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	H[3](B[3,3]B[3,3]C[6a]2H[3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2	H[3](B[3,3]B[3,3]C[6a]2H[3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2{12|C<3>}	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2{12|C<3>}	94.1099	1.335	2	94.1099	1.782	2	91.4657	10.557	4	91.4657	10.557	4	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:3:3:2:2:	5:3:3:2:2:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	H[3](B[3,3]B[3,3]C[6a]2H[3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2	H[3](B[3,3]B[3,3]C[6a]2H[3])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2{2|C<4>,2|H<1>,8|C<3>}	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2{2|C<4>,2|H<1>,8|C<3>}	88.8216	1.386	2	88.8216	1.922	2	91.4657	10.557	4	91.4657	10.557	4	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:3:5:3:2:	5:5:3:2:1:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[6a]-3:B[3]-5:C[6a]-3:H[3]-2:	B[3,3]-5:B[3]-5:C[6a]-3:H[3]-2:H-1:	H[3](B[3,3]B[3,3]C[6a]2B[3])(B[3,3]B[3,3]C[6a]B[3]H)	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])	B[3,3](B[3,3]C[6a]2B[3]H[3])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])(H)	H[3](B[3,3]B[3,3]C[6a]2B[3])(B[3,3]B[3,3]C[6a]B[3]H)	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3]){1|H<1>,2|F<1>,7|C<3>}	B[3,3](B[3,3]C[6a]2B[3]H[3])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])(H){2|F<1>,6|C<3>}	92.9257	3.614	2	92.9257	13.060	2	92.9257	13.060	2	92.9257	13.060	2	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:4:2:1:1:	5:4:2:1:1:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[3]-4:H[3]-2:H-1:H-1:	B[3,3]-5:C[3]-4:H[3]-2:H-1:H-1:	H[3](B[3,3]B[3,3]C[3]HH)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	H[3](B[3,3]B[3,3]C[3]HH)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	B[3,3](B[3,3]C[3]H[3]HH)(C[3]B[3,3]PP)(H[3]B[3,3])(H)2	93.7070	0.000	1	93.7070	0.000	1	93.7070	0.000	1	93.7070	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:4:2:2:1:	5:4:2:2:1:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[5]-4:H[3]-2:H[3]-2:H-1:	B[3,3]-5:C[5]-4:H[3]-2:H[3]-2:H-1:	H[3](B[3,3]B[3,3]C[5]H[3]H)2	B[3,3](B[3,3]C[5]H[3]2H)(C[5]C[5]2Mn)(H[3]B[3,3])2(H)	B[3,3](B[3,3]C[5]H[3]2H)(C[5]C[5]2Mn)(H[3]B[3,3])2(H)	H[3](B[3,3]B[3,3]C[5]H[3]H)2	B[3,3](B[3,3]C[5]H[3]2H)(C[5]C[5]2Mn)(H[3]B[3,3])2(H){1|Mn<8>,2|H<1>,4|C<4>}	B[3,3](B[3,3]C[5]H[3]2H)(C[5]C[5]2Mn)(H[3]B[3,3])2(H){1|Mn<8>,2|H<1>,4|C<4>}	87.5529	0.000	1	87.5529	0.000	1	87.5529	0.000	1	87.5529	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3,3]	B[3,3]	5:5:	5:4:3:3:2:	5:4:3:3:2:	B[3,3]-5:B[3,3]-5:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	H[3](B[3,3]B[3,3]C[6a]2C[3])2	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	H[3](B[3,3]B[3,3]C[6a]2C[3])2	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	96.8158	0.000	1	96.8158	0.000	1	96.8158	0.000	1	96.8158	0.000	1	92.0689	8.405	18	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3x3,5,6]	B[3x3,5,6]	5:5:	6:5:5:2:1:	6:6:5:2:1:	B[3x3,5,6]-5:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3x3,5,6]-5:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H-1:	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]Cl)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]Cl)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|Cl<1>,1|H<2>,2|B<6>,3|H<1>}	90.0426	0.000	1	90.0426	0.000	1	89.7808	0.059	3	89.7808	0.059	3	91.0690	6.677	4	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3x3,5,6]	B[3x3,5,6]	5:5:	6:5:5:2:1:	6:6:5:2:1:	B[3x3,5,6]-5:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3x3,5,6]-5:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H-1:	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]S)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[5x3,5,5]B[5x3,5,6]S)(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|B<5>,1|H<2>,2|B<6>,3|H<1>}	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|H<2>,1|S<3>,2|H<1>,3|B<6>}	89.5643	0.000	1	89.5643	0.000	1	89.7808	0.059	3	89.7808	0.059	3	91.0690	6.677	4	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3x3,5,6]	B[3x3,5,6]	5:5:	6:5:5:2:1:	6:6:5:2:1:	B[3x3,5,6]-5:B[3x3,5,6]-5:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3x3,5,6]-5:H[3]-2:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[3x3,5,6]-5:H[3]-2:H-1:	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[5x3,5,5]B[5x3,5,6]N[6])(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H)	H[3](B[3x3,5,6]B[3x3,5,5,6,6]B[3x3,5,6]B[5x3,5,6]H)(B[3x3,5,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,6]H)	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[5x3,5,5]B[5x3,5,6]N[6])(B[3x3,5,6]B[4x3,3x5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|B<5>,1|B<7>,1|H<2>,2|C<3>,2|H<1>,3|B<6>}	B[3x3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3x3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]H[3]H)(H[3]B[3x3,5,6])(H){1|H<2>,1|N<3>,2|B<7>,3|H<1>}	89.7355	0.000	1	89.7355	0.000	1	89.7808	0.059	3	89.7808	0.059	3	91.0690	6.677	4	91.1399	8.365	30
968	442	442	0:SP-NON_SPD5_SPD5	H[3]	B[3x3,5,6]	B[3x3,5,6]	5:5:	6:6:5:2:1:	6:6:5:2:1:	B[3x3,5,6]-5:B[3x3,5,6]-5:	B[4x3,5,5,6,6,6a,6a]-6:B[5x3,5,6a]-6:B[3x3,5,6]-5:H[3]-2:H-1:	B[4x3,5,5,6,6,6a,6a]-6:B[5x3,5,6a]-6:B[3x3,5,6]-5:H[3]-2:H-1:	H[3](B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]B[3x3,5,6]H)2	B[3x3,5,6](B[4x3,5,5,6,6,6a,6a]B[3,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]H)(B[5x3,5,6a]B[4x3,5,5,6,6,6a,6a]2B[5x3,5,6,6,6a]B[3x3,5,6]H)(B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]H[3]H)(H[3]B[3x3,5,6])(H)	B[3x3,5,6](B[4x3,5,5,6,6,6a,6a]B[3,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]H)(B[5x3,5,6a]B[4x3,5,5,6,6,6a,6a]2B[5x3,5,6,6,6a]B[3x3,5,6]H)(B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]H[3]H)(H[3]B[3x3,5,6])(H)	H[3](B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]B[3x3,5,6]H)2	B[3x3,5,6](B[4x3,5,5,6,6,6a,6a]B[3,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]H)(B[5x3,5,6a]B[4x3,5,5,6,6,6a,6a]2B[5x3,5,6,6,6a]B[3x3,5,6]H)(B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]H[3]H)(H[3]B[3x3,5,6])(H){1|B<4>,1|C<5>,1|N<4>,4|H<1>}	B[3x3,5,6](B[4x3,5,5,6,6,6a,6a]B[3,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]H)(B[5x3,5,6a]B[4x3,5,5,6,6,6a,6a]2B[5x3,5,6,6,6a]B[3x3,5,6]H)(B[3x3,5,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6a]H[3]H)(H[3]B[3x3,5,6])(H){1|B<4>,1|C<5>,1|N<4>,4|H<1>}	94.9336	0.000	1	94.9336	0.000	1	94.9336	0.000	1	94.9336	0.000	1	91.0690	6.677	4	91.1399	8.365	30
968	442	654	0:SP-NON_SP3_SPD5	H[3]	B[3]	B[3]	5:4:	4:3:2:1:1:	5:3:2:1:	B[3]-5:B[3]-4:	B[3]-4:C[6a]-3:H[3]-2:H-1:H-1:	B[3]-5:C[6a]-3:H[3]-2:H-1:	H[3](B[3]C[6a]B[3]HH)(B[3]C[6a]B[3]H)	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)2	B[3](B[3]C[6a]H[3]HH)(C[6a]C[5,6a]2)(H[3]B[3])(H)	H[3](B[3]C[6a]B[3]HH)(B[3]C[6a]B[3]H)	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)2{2|C<4>,4|C<3>}	B[3](B[3]C[6a]H[3]HH)(C[6a]C[5,6a]2)(H[3]B[3])(H){2|C<4>,4|C<3>}	90.7757	0.000	1	90.7757	0.000	1	90.7757	0.000	1	90.7757	0.000	1	90.7757	0.000	1	90.7757	0.000	1
968	486	486	0:SP-NON_SP3_SP3	H[3]	C[3,6]	C[3]	4:4:	4:2:3:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	C[3,6]-4:H[3]-2:H-1:H-1:	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2{1|H<1>,2|C<3>}	84.7805	0.000	1	84.7805	0.000	1	84.7805	0.000	1	84.7805	0.000	1	84.7805	0.000	1	84.7805	0.000	1
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3,5]	C[3,4,5]	5:4:	5:2:2:3:	4:4:2:2:1:	C[3,4,5]-5:C[3,5]-4:	C[3,4,5]-5:H[3]-2:C[5]-2:C-3:	C[3,5]-4:C[4,5]-4:H[3]-2:H[4]-2:H-1:	H[3](C[3,4,5]C[3,5]C[4,5]H[4]H)(C[3,5]C[3,4,5]C[5]C)	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O)	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H)	H[3](C[3,4,5]C[3,5]C[4,5]H[4]H)(C[3,5]C[3,4,5]C[5]C)	C[3,5](C[3,4,5]C[4,5]H[3]H[4]H)(H[3]C[3,4,5])(C[5]C[5])(CN[5a]O){1|H<2>,3|H<1>}	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H){2|H<1>}	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	101.6640	0.000	1	86.4880	389.003	6
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3,5]	C[3,5]	5:4:	5:2:3:1:	4:2:3:1:1:	C[3,5]-5:C[3,5]-4:	C[3,5]-5:H[3]-2:C[5]-3:H-1:	C[3,5]-4:H[3]-2:C[5]-3:H-1:H-1:	H[3](C[3,5]C[3,5]C[5]HH)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]H[3]HH)(H[3]C[3,5])(C[5]N[5]H)(H)	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2	H[3](C[3,5]C[3,5]C[5]HH)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]H[3]HH)(H[3]C[3,5])(C[5]N[5]H)(H){1|H<1>,1|P<4>}	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2{1|H<1>,1|P<4>}	95.6746	0.000	1	95.6746	0.000	1	95.6746	0.000	1	95.6746	0.000	1	95.6746	0.000	1	86.4880	389.003	6
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3,6]	C[3,6]	4:5:	3:5:2:3:	4:4:2:1:1:	C[3,6]-4:C[3,6]-5:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[3,6]-4:C[6]-4:H[3]-2:H-1:H-1:	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2{2|C<3>,2|S<2>}	88.9862	0.000	1	88.9862	0.000	1	88.9862	0.000	1	88.9862	0.000	1	88.9862	0.000	1	86.4880	389.003	6
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3]	C[3]	5:4:	5:2:1:1:	4:4:2:4:1:	C[3]-5:C[3]-4:	C[3]-5:H[3]-2:H-1:H-1:	C[6]-4:C[3]-4:H[3]-2:C-4:H-1:	H[3](C[3]C[3]C[6]CH)(C[3]C[3]HH)	C[3](C[3]C[6]H[3]CH)(H[3]C[3])(H)2	C[3](C[6]C[6]2Ru)(C[3]H[3]HH)(H[3]C[3])(CH3)(H)	H[3](C[3]C[3]C[6]CH)(C[3]C[3]HH)	C[3](C[3]C[6]H[3]CH)(H[3]C[3])(H)2{1|Ru<10>,2|C<4>}	C[3](C[6]C[6]2Ru)(C[3]H[3]HH)(H[3]C[3])(CH3)(H){2|C<4>,2|H<1>}	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	86.4880	389.003	6
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3x3]	C[3,3]	4:5:	7:6:5:2:	7:4:2:1:1:	C[3x3]-4:C[3,3]-5:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	H[3](C[3x3]C[3x3,4]C[3,3]C[3x3])(C[3,3]C[3x3,4]C[3x3]HH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	59.3256	0.000	1	59.3256	0.000	1	59.3256	0.000	1	59.3256	0.000	1	62.4570	19.612	2	86.4880	389.003	6
968	486	778	0:SP-NON_SP3_SPD5	H[3]	C[3x3]	C[3,3]	5:4:	5:3:3:2:	4:3:2:2:1:	C[3,3]-5:C[3x3]-4:	C[3,3]-5:C[3,3]-3:O[3]-3:H[3]-2:	C[3x3]-4:C[3,3]-3:H[3]-2:O-2:H-1:	H[3](C[3,3]C[3,3]C[3x3]HO)(C[3x3]C[3,3]2O[3])	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]O[3])(H[3]C[3x3])(OC)(H)	H[3](C[3,3]C[3,3]C[3x3]HO)(C[3x3]C[3,3]2O[3])	C[3x3](C[3,3]C[3,3]H[3]HO)(C[3,3]C[3,3]O[3])(O[3]C[3,3]C)(H[3]C[3,3])	C[3,3](C[3x3]C[3,3]H[3]O[3])(C[3,3]C[3x3]O[3])(H[3]C[3x3])(OC)(H){1|C<4>}	65.5885	0.000	1	65.5885	0.000	1	65.5885	0.000	1	65.5885	0.000	1	62.4570	19.612	2	86.4880	389.003	6
968	486	902	0:SP-NON_SP2_SP3	H[3]	C[3,3]	C[3,3]	4:3:	3:4:2:2:	4:2:2:	C[3,3]-4:C[3,3]-3:	C[3,3]-3:C[5]-4:C[3]-2:H[3]-2:	C[3,3]-4:C[3]-2:H[3]-2:	H[3](C[3,3]C[3,3]C[3]C[5])(C[3,3]C[3,3]C[3])	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3])	C[3,3](C[3,3]C[3]C[5]H[3])(C[3]C[3,3])(H[3]C[3,3])	H[3](C[3,3]C[3,3]C[3]C[5])(C[3,3]C[3,3]C[3])	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3,3](C[3,3]C[3]C[5]H[3])(C[3]C[3,3])(H[3]C[3,3]){1|N<3>,2|C<4>}	84.0092	0.000	1	84.0092	0.000	1	84.0092	0.000	1	84.0092	0.000	1	84.0092	0.000	1	84.0092	0.000	1
968	486	962	0:SP-NON_SP3_SP3	H[3]	C[3]	O[3]	4:2:	2:2:4:3:	4:2:	C[3]-4:O[3]-2:	H[3]-2:O[3]-2:N-4:C-3:	C[3]-4:H[3]-2:	H[3](C[3]O[3]CN)(O[3]C[3])	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	O[3](C[3]H[3]CN)(H[3]C[3])	H[3](C[3]O[3]CN)(O[3]C[3])	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	O[3](C[3]H[3]CN)(H[3]C[3])	89.9949	0.000	1	89.9949	0.000	1	89.9949	0.000	1	89.9949	0.000	1	89.9949	0.000	1	89.9949	0.000	1
968	634	634	0:SP-NON_SP3_SP3	H[3]	Ge[3,3]	Ge[3,3]	4:4:	4:3:2:2:	4:3:2:2:	Ge[3,3]-4:Ge[3,3]-4:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	Ge[3,3]-4:C[6a]-3:H[3]-2:H[3]-2:	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2	H[3](Ge[3,3]Ge[3,3]C[6a]H[3])2	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	Ge[3,3](Ge[3,3]C[6a]H[3]2)(C[6a]C[6a]2)(H[3]Ge[3,3])2{6|C<3>}	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1
968	654	654	0:SP-NON_SP3_SP3	H[3]	B[3,3]	B[3,3]	4:4:	4:2:2:3:	4:2:2:3:	B[3,3]-4:B[3,3]-4:	B[3,3]-4:H[3]-2:H[3]-2:B[5]-3:	B[3,3]-4:H[3]-2:H[3]-2:B[5]-3:	H[3](B[3,3]B[3,3]B[5]H[3])2	B[3,3](B[3,3]B[5]H[3]2)(H[3]B[3,3])2(B[5]N[5]2)	B[3,3](B[3,3]B[5]H[3]2)(H[3]B[3,3])2(B[5]N[5]2)	H[3](B[3,3]B[3,3]B[5]H[3])2	B[3,3](B[3,3]B[5]H[3]2)(H[3]B[3,3])2(B[5]N[5]2){2|C<3>,2|C<4>,2|N<3>}	B[3,3](B[3,3]B[5]H[3]2)(H[3]B[3,3])2(B[5]N[5]2){2|C<3>,2|C<4>,2|N<3>}	71.9096	1.797	2	71.9096	3.230	2	71.9096	3.230	2	71.9096	3.230	2	71.9096	3.230	2	74.2988	18.740	3
968	654	654	0:SP-NON_SP3_SP3	H[3]	B[3]	B[3]	4:4:	4:3:2:1:	4:3:2:1:	B[3]-4:B[3]-4:	B[3]-4:C[6a]-3:H[3]-2:H-1:	B[3]-4:C[6a]-3:H[3]-2:H-1:	H[3](B[3]C[6a]B[3]H)2	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)	H[3](B[3]C[6a]B[3]H)2	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H){2|C<4>,4|C<3>}	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H){2|C<4>,4|C<3>}	79.0771	0.000	1	79.0771	0.000	1	79.0771	0.000	1	79.0771	0.000	1	79.0771	0.000	1	74.2988	18.740	3
968	663	663	0:SP-NON_SPD5_SPD5	H[3]	B[3,3a]	B[3,3a]	5:5:	5:4:2:1:1:	5:4:2:1:1:	B[3,3a]-5:B[3,3a]-5:	B[3,3a]-5:N[3a]-4:H[3]-2:H-1:H-1:	B[3,3a]-5:N[3a]-4:H[3]-2:H-1:H-1:	H[3](B[3,3a]B[3,3a]N[3a]HH)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	H[3](B[3,3a]B[3,3a]N[3a]HH)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	92.5660	0.000	1	92.5660	0.000	1	92.5660	0.000	1	92.5660	0.000	1	92.5660	0.000	1	92.5660	0.000	1
968	778	778	0:SP-NON_SPD5_SPD5	H[3]	C[3]	C[3]	5:5:	3:5:2:2:4:	5:2:3:1:1:	C[3]-5:C[3]-5:	C[6a]-3:C[3]-5:H[3]-2:N-2:C-4:	C[3]-5:H[3]-2:C-3:H-1:H-1:	H[3](C[3]C[6a]C[3]CN)(C[3]C[3]CHH)	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3)	C[3](C[3]C[6a]H[3]CN)(H[3]C[3])(CC[6]N)(H)2	H[3](C[3]C[6a]C[3]CN)(C[3]C[3]CHH)	C[3](C[6a]C[6a]N[6a])(C[3]H[3]CHH)(H[3]C[3])(NC[6a])(CH3){1|H<1>,2|C<3>}	C[3](C[3]C[6a]H[3]CN)(H[3]C[3])(CC[6]N)(H)2{1|C<3>,1|N<2>}	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	95.6136	231.058	2
968	778	778	0:SP-NON_SPD5_SPD5	H[3]	C[4x3]	C[3,3,4,4]	5:5:	7:5:2:2:2:	7:5:3:2:1:	C[3,3,4,4]-5:C[4x3]-5:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	H[3](C[3,3,4,4]C[3x3,3x4]C[3x4]C[4x3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	H[3](C[3,3,4,4]C[3x3,3x4]C[3x4]C[4x3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	84.8651	0.000	1	84.8651	0.000	1	84.8651	0.000	1	84.8651	0.000	1	84.8651	0.000	1	95.6136	231.058	2
968	778	915	0:SP-NON_SPD5_SPD5	H[3]	C[3x3,4,4]	O[4x3,4]	5:5:	5:5:3:2:2:	5:5:5:5:2:	O[4x3,4]-5:C[3x3,4,4]-5:	O[3x3,4,4,5]-5:O[4x3,4]-5:H[3,4,4]-3:H[3]-2:H[3]-2:	O[3x3,4,4,5]-5:C[3,4,5,5]-5:C[3x3,4,4]-5:C[3,4,4]-5:H[3]-2:	H[3](O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4])(C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H[3])	C[3x3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]H[3])(H[3,4,4]C[3,4,4]H[3])(H[3]H[3,4,4])(H[3]O[4x3,4])	O[4x3,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]C[4,5,5])(C[3,4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)(C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]H[3]2)(C[3,4,4]O[3x3,4,4,5]H[3,4,4]CH)(H[3]C[3x3,4,4])	H[3](O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4])(C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H[3])	C[3x3,4,4](O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3,4,5,5]C[3,4,4]H[3])(H[3,4,4]C[3,4,4]H[3])(H[3]H[3,4,4])(H[3]O[4x3,4]){1|C<4>,3|H<2>,4|H<1>}	O[4x3,4](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]C[4,5,5])(C[3,4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)(C[3x3,4,4]O[3x3,4,4,5]H[3,4,4]H[3]2)(C[3,4,4]O[3x3,4,4,5]H[3,4,4]CH)(H[3]C[3x3,4,4]){1|H<2>,2|H<1>}	54.6427	0.000	1	54.6427	0.000	1	54.6427	0.000	1	54.6427	0.000	1	54.6427	0.000	1	54.6427	0.000	1
968	778	968	0:SP-NON_SP-NON_SPD5	H[3]	C[3]	H[3]	5:2:	2:2:4:2:1:	5:2:	C[3]-5:H[3]-2:	H[3]-2:H[3]-2:C-4:O-2:H-1:	C[3]-5:H[3]-2:	H[3](C[3]H[3]CHO)(H[3]C[3])	C[3](H[3]H[3])2(CCHO)(OC)(H)	H[3](C[3]H[3]CHO)(H[3]C[3])	H[3](C[3]H[3]CHO)(H[3]C[3])	C[3](H[3]H[3])2(CCHO)(OC)(H)	H[3](C[3]H[3]CHO)(H[3]C[3])	75.6783	21.823	2	75.6783	476.222	2	75.6783	476.222	2	75.6783	476.222	2	75.6783	476.222	2	75.6783	476.222	2
968	851	853	0:SP-NON_SP2_SP3	H[3]	N[3,5a]	C[3,5a]	4:3:	3:2:3:2:	4:3:2:	N[3,5a]-4:C[3,5a]-3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	76.9140	0.000	1	76.9140	0.000	1	76.9140	0.000	1	76.9140	0.000	1	76.9140	0.000	1	76.9140	0.000	1
968	915	915	0:SP-NON_SPD5_SPD5	H[3]	O[4x3]	O[4x3]	5:5:	5:2:2:2:2:	5:2:2:2:2:	O[4x3]-5:O[4x3]-5:	O[4x3]-5:H[3]-2:H[3]-2:H[3]-2:H[3]-2:	O[4x3]-5:H[3]-2:H[3]-2:H[3]-2:H[3]-2:	H[3](O[4x3]O[4x3]H[3]3)2	O[4x3](O[4x3]H[3]4)(H[3]O[4x3])4	O[4x3](O[4x3]H[3]4)(H[3]O[4x3])4	H[3](O[4x3]O[4x3]H[3]3)2	O[4x3](O[4x3]H[3]4)(H[3]O[4x3])4	O[4x3](O[4x3]H[3]4)(H[3]O[4x3])4	88.7893	3.210	2	88.7893	10.306	2	88.7893	10.306	2	88.7893	10.306	2	88.7893	10.306	2	88.7893	10.306	2
968	962	968	0:SP-NON_SP-NON_SP3	H[3]	O[3]	H[3]	2:2:	2:2:	2:2:	H[3]-2:O[3]-2:	H[3]-2:H[3]-2:	H[3]-2:O[3]-2:	H[3](H[3]O[3])(O[3]H[3])	O[3](H[3]H[3])2	H[3](H[3]O[3])(O[3]H[3])	H[3](H[3]O[3])(O[3]H[3])	O[3](H[3]H[3])2	H[3](H[3]O[3])(O[3]H[3])	68.5721	7.155	16	68.5721	51.200	16	68.5721	51.200	16	68.5721	51.200	16	68.5721	51.200	16	68.5721	51.200	16
969	3	490	0:SP-NON_SP2_SP3	Ga	B[5a]	C	3:4:4:	3:3:3:	3:1:1:1:	B[5a]-3:C-4:C-4:	N[5a]-3:N[5a]-3:Ga-3:	Ga-3:H-1:H-1:H-1:	Ga(B[5a]N[5a]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaCC)	C(GaB[5a]C)(H)3	Ga(B[5a]N[5a]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaCC){2|H<1>,4|C<3>}	C(GaB[5a]C)(H)3	122.3205	0.306	2	122.3205	0.094	2	122.3205	0.094	2	122.3205	0.094	2	122.3205	0.094	2	122.3205	0.094	2
969	466	490	0:SP-NON_SP3_SP3	Ga	C[6]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:Ga-3:H-1:	Ga-3:H-1:H-1:H-1:	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	C(GaC[6a]C[6])(H)3	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	C(GaC[6a]C[6])(H)3	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1
969	466	643	0:SP-NON_SP2_SP3	Ga	C[6]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-3:C[6]-3:Ga-3:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C){1|C<3>,2|C<4>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1
969	474	474	0:SP-NON_SP3_SP3	Ga	C[5]	C[5]	4:4:1:	3:3:3:4:	3:3:3:4:	C[5]-4:C[5]-4:Cl-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	130.0160	0.000	1	130.0160	0.000	1	130.0160	0.000	1	130.0160	0.000	1	123.4610	85.936	2	123.4610	85.936	2
969	474	474	0:SP-NON_SP3_SP3	Ga	C[5]	C[5]	4:4:4:	3:3:3:4:	3:3:3:4:	C[5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	123.4610	85.936	2	123.4610	85.936	2
969	474	490	0:SP-NON_SP3_SP3	Ga	C[5]	C	4:4:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	Ga-3:H-1:H-1:H-1:	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C(GaC[5]2)(H)3	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C(GaC[5]2)(H)3	120.3670	1.112	2	120.3670	1.236	2	120.3670	1.236	2	120.3670	1.236	2	120.3670	1.236	2	120.3670	1.236	2
969	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:4:1:	3:3:3:4:	3:	C[5]-4:C[5]-4:Cl-1:	C[5]-3:C[5]-3:Ga-3:C-4:	Ga-3:	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	Cl(GaC[5]2)	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	Cl(GaC[5]2)	108.2575	0.432	2	108.2575	0.187	2	108.2575	0.187	2	108.2575	0.187	2	108.2575	0.187	2	108.2575	0.187	2
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	B[5a]-3:C-4:C-4:	Ga-3:H-1:H-1:H-1:	Ga-3:H-1:H-1:H-1:	Ga(B[5a]N[5a]2)(CH3)2	C(GaB[5a]C)(H)3	C(GaB[5a]C)(H)3	Ga(B[5a]N[5a]2)(CH3)2	C(GaB[5a]C)(H)3	C(GaB[5a]C)(H)3	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	122.5036	7.863	12	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	Ga-3:H-1:H-1:H-1:	Ga-3:H-1:H-1:H-1:	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C(GaC[6a]C)(H)3	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C(GaC[6a]C)(H)3	123.1559	1.741	11	123.1559	3.032	11	123.1559	3.032	11	122.5036	7.863	12	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	121.2930	3.900	2	121.2930	15.213	2	121.5485	11.781	4	121.3513	7.327	6	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(CSiC)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	Ga(CSiC)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	124.9560	0.000	1	124.9560	0.000	1	121.5485	11.781	4	121.3513	7.327	6	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(CSi[4]C)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	Ga(CSi[4]C)(CC3)2	C(GaCC)(CH3)3	C(GaCC)(CH3)3	118.6520	0.000	1	118.6520	0.000	1	121.5485	11.781	4	121.3513	7.327	6	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	P-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(PC[5]Ga)(CC3)2	C(GaCP)(CH3)3	C(GaCP)(CH3)3	Ga(PC[5]Ga)(CC3)2	C(GaCP)(CH3)3	C(GaCP)(CH3)3	120.9570	0.908	2	120.9570	0.824	2	120.9570	0.824	2	121.3513	7.327	6	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:3:4:	4:4:4:3:	3:1:1:1:	C-4:C-3:C-4:	Si-4:Si-4:Si-4:Ga-3:	Ga-3:H-1:H-1:H-1:	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	C(GaCC)(H)3	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	C(GaCC)(H)3	120.0165	0.211	2	120.0165	0.045	2	120.0165	0.045	2	120.0165	0.045	2	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:2:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-2:	Ga-3:C-4:H-1:H-1:	Ga-3:C-4:H-1:H-1:	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	C(GaCC)(CH3)(H)2	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	C(GaCC)(CH3)(H)2	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:3:	3:4:4:1:	3:4:4:1:	C-4:C-4:C-3:	Ga-3:C-4:C-4:H-1:	Ga-3:C-4:C-4:H-1:	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	C(GaCC)(CH3)2(H)	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	C(GaCC)(CH3)2(H)	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	Ga-3:H-1:H-1:H-1:	Ga-3:H-1:H-1:H-1:	Ga(CH3)3	C(GaCC)(H)3	C(GaCC)(H)3	Ga(CH3)3	C(GaCC)(H)3	C(GaCC)(H)3	118.0556	2.382	9	118.0556	5.673	9	117.7894	5.751	10	117.7894	5.751	10	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	Ga-3:H-1:H-1:H-1:	Ga-3:H-1:H-1:H-1:	Ga(CSiHH)(CH3)2	C(GaCC)(H)3	C(GaCC)(H)3	Ga(CSiHH)(CH3)2	C(GaCC)(H)3	C(GaCC)(H)3	115.3940	0.000	1	115.3940	0.000	1	117.7894	5.751	10	117.7894	5.751	10	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:	Ga-3:C-4:H-1:H-1:	Ga-3:C-4:H-1:H-1:	Ga(CGaSiC)(CCHH)2	C(GaCC)(CC3)(H)2	C(GaCC)(CC3)(H)2	Ga(CGaSiC)(CCHH)2	C(GaCC)(CC3)(H)2	C(GaCC)(CC3)(H)2	123.8255	2.821	2	123.8255	7.956	2	123.8255	7.956	2	123.8255	7.956	2	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(CC3)3	C(GaCC)(CH3)3	C(GaCC)(CH3)3	Ga(CC3)3	C(GaCC)(CH3)3	C(GaCC)(CH3)3	115.4917	1.874	6	115.4917	3.514	6	115.4917	3.514	6	116.4912	6.014	8	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	P-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ga(PGaSiH)(CC3)2	C(GaCP)(CH3)3	C(GaCP)(CH3)3	Ga(PGaSiH)(CC3)2	C(GaCP)(CH3)3	C(GaCP)(CH3)3	119.4900	0.742	2	119.4900	0.551	2	119.4900	0.551	2	116.4912	6.014	8	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	4:3:1:1:	3:1:1:1:	C-4:C-4:C-4:	Si-4:Ga-3:H-1:H-1:	Ga-3:H-1:H-1:H-1:	Ga(CSiHH)(CH3)2	C(SiC[6]CC)(GaCC)(H)2	C(GaCC)(H)3	Ga(CSiHH)(CH3)2	C(SiC[6]CC)(GaCC)(H)2	C(GaCC)(H)3	118.1775	4.388	2	118.1775	19.251	2	118.1775	19.251	2	118.1775	19.251	2	119.6658	12.130	48	119.6658	12.130	48
969	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:	4:4:3:3:	3:4:1:1:	C-4:C-4:C-4:	C-4:Si-4:Ga-3:Ga-3:	Ga-3:C-4:H-1:H-1:	Ga(CGaSiC)(CCHH)2	C(CC[6a]HH)(SiC3)(GaCC)2	C(GaCC)(CC3)(H)2	Ga(CGaSiC)(CCHH)2	C(CC[6a]HH)(SiC3)(GaCC)2	C(GaCC)(CC3)(H)2	117.9938	3.549	4	117.9938	12.596	4	117.9938	12.596	4	117.9938	12.596	4	119.6658	12.130	48	119.6658	12.130	48
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6a]-3:Ga-2:C-4:	Ga-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]2)2(GaGaC)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]2)2(GaGaC){2|H<1>,5|C<3>}	127.8890	0.000	1	127.8890	0.000	1	127.8890	0.000	1	127.8890	0.000	1	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CH3)	C(GaC[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CH3)	C(GaC[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(GaC[6a]C){1|C<3>,2|F<1>}	122.0445	1.131	4	122.0445	1.279	4	121.4450	2.627	6	121.4450	2.627	6	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CH3)	C(GaC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CH3)	C(GaC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(GaC[6a]C){1|C<3>,2|H<1>}	120.2460	2.233	2	120.2460	4.986	2	121.4450	2.627	6	121.4450	2.627	6	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Ga-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)2(GaC[6a]C){2|H<1>,5|C<3>}	121.2830	0.000	1	121.2830	0.000	1	116.9345	37.819	2	116.9345	37.819	2	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Ga-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C){1|C<3>,1|C<4>,1|H<1>}	112.5860	0.000	1	112.5860	0.000	1	116.9345	37.819	2	116.9345	37.819	2	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC)	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC){1|C<3>,2|H<1>}	117.6705	1.427	10	117.3386	2.150	22	117.3386	2.150	22	117.1196	3.155	23	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC)	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|C<4>}	117.1548	1.430	8	117.3386	2.150	22	117.3386	2.150	22	117.1196	3.155	23	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC)	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|H<1>}	116.8765	1.852	4	117.3386	2.150	22	117.3386	2.150	22	117.1196	3.155	23	118.2556	9.916	32	118.2556	9.916	32
969	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	Ga-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(GaC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(GaC[6a]C[6])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C){1|C<3>,2|C<4>}	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	117.1196	3.155	23	118.2556	9.916	32	118.2556	9.916	32
969	490	690	0:SP-NON_SP-NON_SP3	Ga	C	Ga	3:2:4:	3:4:3:1:	3:3:	C[6a]-3:Ga-2:C-4:	Ga-3:C-4:C-3:H-1:	C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	Ga(C[6a]C[6a]2)(GaC[6a]C)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	Ga(C[6a]C[6a]2)(GaC[6a]C)	95.6275	0.000	1	95.6275	0.000	1	95.6275	0.000	1	95.6275	0.000	1	95.6275	0.000	1	95.6275	0.000	1
969	490	893	0:SP-NON_SP3_SP3	Ga	C	O	4:2:2:	3:1:1:1:	4:3:	C-4:O-2:O-2:	Ga-3:H-1:H-1:H-1:	C-4:Ga-3:	Ga(CH3)(OC)2	C(GaOO)(H)3	O(CCCH)(GaCO)	Ga(CH3)(OC)2	C(GaOO)(H)3	O(CCCH)(GaCO)	123.7670	0.795	2	123.7670	0.632	2	123.7670	0.632	2	123.7670	0.632	2	123.7670	0.632	2	123.7670	0.632	2
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:3:4:	3:4:1:1:	3:3:3:	C-3:C-3:C-4:	Ga-3:C-4:H-1:H-1:	C[6a]-3:Ga-3:C-3:	Ga(CC[6a]C)2(CCHH)	C(GaCC)(CH3)(H)2	C(C[6a]C[6a]2)(GaCC)(CCH)	Ga(CC[6a]C)2(CCHH)	C(GaCC)(CH3)(H)2	C(C[6a]C[6a]2)(GaCC)(CCH)	118.2170	0.664	6	118.2170	0.441	6	118.2170	0.441	6	118.2170	0.441	6	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:3:4:	4:3:1:1:	3:3:3:	C-3:C-3:C-4:	C-4:Ga-3:H-1:H-1:	C[6a]-3:Ga-3:C-3:	Ga(CC[6a]C)2(CCHH)	C(CCHH)(GaCC)(H)2	C(C[6a]C[6a]2)(GaCC)(CCH)	Ga(CC[6a]C)2(CCHH)	C(CCHH)(GaCC)(H)2	C(C[6a]C[6a]2)(GaCC)(CCH)	118.4300	3.782	2	118.4300	14.301	2	118.4300	14.301	2	118.4300	14.301	2	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:4:4:	3:4:4:4:	3:4:3:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	C-3:Si-4:Ga-3:	Ga(CSiC)(CC3)2	C(GaCC)(CH3)3	C(CC[6a]H)(SiC3)(GaCC)	Ga(CSiC)(CC3)2	C(GaCC)(CH3)3	C(CC[6a]H)(SiC3)(GaCC)	117.3815	1.136	2	117.3815	1.291	2	117.3815	1.291	2	117.3815	1.291	2	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:4:4:	3:4:4:4:	4:3:3:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ge-4:Ga-3:C-3:	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GeCNN)(GaCC)(CCH)	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GeCNN)(GaCC)(CCH)	112.4370	1.500	2	112.4370	2.251	2	114.5072	7.116	4	115.0275	6.827	6	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:4:4:	3:4:4:4:	4:3:3:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Ge-4:Ga-3:C-3:	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GeC[6a]ClC)(GaCC)(CCH)	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(GeC[6a]ClC)(GaCC)(CCH)	116.5775	1.398	2	116.5775	1.954	2	114.5072	7.116	4	115.0275	6.827	6	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	3:4:4:	3:4:4:4:	4:3:3:	C-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Si[4]-4:Ga-3:C-3:	Ga(CSi[4]C)(CC3)2	C(GaCC)(CH3)3	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	Ga(CSi[4]C)(CC3)2	C(GaCC)(CH3)3	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	116.0680	3.089	2	116.0680	9.540	2	116.0680	9.540	2	115.0275	6.827	6	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	4:3:4:	3:1:1:1:	3:4:3:	C-4:C-3:C-4:	Ga-3:H-1:H-1:H-1:	C-3:Si-4:Ga-3:	Ga(CSi3)(CSiC)(CH3)	C(GaCC)(H)3	C(CC[6a]H)(SiC3)(GaCC)	Ga(CSi3)(CSiC)(CH3)	C(GaCC)(H)3	C(CC[6a]H)(SiC3)(GaCC)	114.6915	0.226	2	114.6915	0.051	2	114.6915	0.051	2	114.6915	0.051	2	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	4:3:4:	4:4:4:3:	3:4:3:	C-4:C-3:C-4:	Si-4:Si-4:Si-4:Ga-3:	C-3:Si-4:Ga-3:	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	C(CC[6a]H)(SiC3)(GaCC)	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	C(CC[6a]H)(SiC3)(GaCC)	125.2555	0.013	2	125.2555	0.000	2	125.2555	0.000	2	125.2555	0.000	2	117.8514	12.213	22	117.8514	12.213	22
969	490	930	0:SP-NON_SP2_SP3	Ga	C	C	4:4:3:	3:4:4:1:	3:4:3:	C-4:C-4:C-3:	Ga-3:C-4:C-4:H-1:	C-3:Si-4:Ga-3:	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	C(CC[6a]H)(SiC3)(GaCC)	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	C(CC[6a]H)(SiC3)(GaCC)	120.8735	2.618	2	120.8735	6.856	2	120.8735	6.856	2	120.8735	6.856	2	117.8514	12.213	22	117.8514	12.213	22
969	490	944	0:SP-NON_SP-NON_SP3	Ga	C	I	4:1:1:	4:3:3:3:	3:	C-4:I-1:I-1:	Si-4:Ga-3:Ga-3:C-3:	Ga-3:	Ga(CGaSiC)(I)2	C(SiC3)(GaII)2(CCC)	I(GaCI)	Ga(CGaSiC)(I)2	C(SiC3)(GaII)2(CCC)	I(GaCI)	117.6530	12.243	8	117.6530	149.883	8	117.6530	149.883	8	117.6530	149.883	8	118.9022	90.164	13	118.9022	90.164	13
969	490	944	0:SP-NON_SP-NON_SP3	Ga	C	I	4:1:1:	4:4:3:3:	3:	C-4:I-1:I-1:	Ga-4:Si-4:Ga-3:C-3:	Ga-3:	Ga(CGaSiC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	I(GaCI)	Ga(CGaSiC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	I(GaCI)	120.8650	0.321	4	120.8650	0.103	4	120.8650	0.103	4	120.8650	0.103	4	118.9022	90.164	13	118.9022	90.164	13
969	490	944	0:SP-NON_SP-NON_SP3	Ga	C	I	4:3:1:	3:4:4:4:	3:	C-4:Ga-3:I-1:	Ga-3:Si-4:Si-4:Si-4:	Ga-3:	Ga(CSi3)(GaCI)(I)	C(GaGaI)(SiC3)3	I(GaGaC)	Ga(CSi3)(GaCI)(I)	C(GaGaI)(SiC3)3	I(GaGaC)	121.0440	0.000	1	121.0440	0.000	1	121.0440	0.000	1	121.0440	0.000	1	118.9022	90.164	13	118.9022	90.164	13
969	490	945	0:SP-NON_SP3_SP3	Ga	C	P	3:4:4:	3:4:4:4:	3:3:3:	P-3:C-4:C-4:	Ga-3:C-4:C-4:C-4:	C[5]-3:Ga-3:Ga-3:	Ga(PC[5]Ga)(CC3)2	C(GaCP)(CH3)3	P(C[5]N[5]2)(GaCC)2	Ga(PC[5]Ga)(CC3)2	C(GaCP)(CH3)3	P(C[5]N[5]2)(GaCC)2	117.6760	9.487	4	117.6760	90.009	4	117.6760	90.009	4	117.6760	90.009	4	117.6760	90.009	4	117.6760	90.009	4
969	490	969	0:SP-NON_SP-NON_SP3	Ga	C	Ga	4:3:1:	3:4:4:4:	4:3:1:	C-4:Ga-3:I-1:	Ga-3:Si-4:Si-4:Si-4:	C-4:Ga-3:I-1:	Ga(CSi3)(GaCI)(I)	C(GaGaI)(SiC3)3	Ga(CSi3)(GaCI)(I)	Ga(CSi3)(GaCI)(I)	C(GaGaI)(SiC3)3	Ga(CSi3)(GaCI)(I)	146.5710	0.000	1	146.5710	0.000	1	146.5710	0.000	1	146.5710	0.000	1	146.5710	0.000	1	146.5710	0.000	1
969	490	983	0:SP-NON_SP1_SP3	Ga	C	C	4:4:2:	3:4:1:1:	2:3:	C-4:C-4:C-2:	Ga-3:C-4:H-1:H-1:	C-2:Ga-3:	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	C(CC[6])(GaCC)	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	C(CC[6])(GaCC)	108.4105	8.741	2	108.4105	76.397	2	108.4105	76.397	2	108.4105	76.397	2	108.4105	76.397	2	108.4105	76.397	2
969	490	992	0:SP-NON_SP3_SP3	Ga	C	P	4:4:4:	3:4:4:4:	4:3:3:1:	P-4:C-4:C-4:	Ga-3:C-4:C-4:C-4:	Si-4:Ga-3:Ga-3:H-1:	Ga(PGaSiH)(CC3)2	C(GaCP)(CH3)3	P(SiC[6a]CC)(GaCC)2(H)	Ga(PGaSiH)(CC3)2	C(GaCP)(CH3)3	P(SiC[6a]CC)(GaCC)2(H)	113.6347	4.313	4	113.6347	18.602	4	113.6347	18.602	4	113.6347	18.602	4	113.6347	18.602	4	113.6347	18.602	4
969	542	643	0:SP-NON_SP2_SP2	Ga	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6]-3:	Ga-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(GaC[6]N[5])	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(GaC[6]N[5]){1|C<3>,2|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1
969	542	762	0:SP-NON_SP2_SP2	Ga	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6]-3:	Ga-3:N[5]-3:C[5]-3:	Ga-3:C[6]-3:C[6]-3:	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	C[6](GaC[6a]N[5])(C[6]C[6]H)2	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I)	Ga(C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GaC[6a]I){2|H<1>,5|C<3>}	131.0820	0.000	1	131.0820	0.000	1	131.0820	0.000	1	131.0820	0.000	1	120.4860	33.536	8	120.4860	33.536	8
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2)	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2){1|C<3>,2|H<1>}	118.6150	0.000	1	118.6150	0.000	1	119.9950	38.895	3	119.9950	38.895	3	120.4860	33.536	8	120.4860	33.536	8
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2)	C[6a](C[6a]C[6a]C)2(GaC[6a]2)	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(GaC[6a]2){1|C<3>,2|H<1>}	120.6850	8.656	2	120.6850	74.933	2	119.9950	38.895	3	119.9950	38.895	3	120.4860	33.536	8	120.4860	33.536	8
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C)	C[6a](C[6a]C[6a]2)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)2(GaC[6a]C){2|H<1>,5|C<3>}	121.5290	0.000	1	121.5290	0.000	1	118.2053	7.720	4	118.2053	7.720	4	120.4860	33.536	8	120.4860	33.536	8
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]C)	C[6a](C[6a]C[6a]F)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GaC[6a]C){1|C<3>,2|F<1>}	115.9120	0.000	2	115.9120	0.000	2	118.2053	7.720	4	118.2053	7.720	4	120.4860	33.536	8	120.4860	33.536	8
969	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(GaC[6a]C)	C[6a](C[6a]C[6a]H)2(GaC[6a]C)	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(GaC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GaC[6a]C){1|C<3>,2|H<1>}	119.4680	0.000	1	119.4680	0.000	1	118.2053	7.720	4	118.2053	7.720	4	120.4860	33.536	8	120.4860	33.536	8
969	643	690	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Ga	3:2:4:	3:3:3:	3:3:	C[6a]-3:Ga-2:C-4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:Ga-3:	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C[6a](C[6a]C[6a]2)2(GaGaC)	Ga(C[6a]C[6a]2)(GaC[6a]C)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C[6a](C[6a]C[6a]2)2(GaGaC){2|H<1>,5|C<3>}	Ga(C[6a]C[6a]2)(GaC[6a]C)	136.4780	0.000	1	136.4780	0.000	1	136.4780	0.000	1	136.4780	0.000	1	136.4780	0.000	1	136.4780	0.000	1
969	643	762	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Ga-3:	Ga-3:C[6]-3:C[6]-3:	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(GaC[6]N[5])	C[6](GaC[6a]N[5])(C[6]C[6]H)2	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(GaC[6]N[5]){1|C<3>,2|H<1>}	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1
969	643	944	0:SP-NON_SP-NON_SP2	Ga	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga-3:	Ga(C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I)	I(GaC[6a]2)	Ga(C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I){2|H<1>,5|C<3>}	I(GaC[6a]2)	114.4545	0.613	2	114.4545	0.376	2	114.4545	0.376	2	116.7202	7.007	4	116.7202	7.007	4	116.7202	7.007	4
969	643	944	0:SP-NON_SP-NON_SP2	Ga	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:Ga-3:I-1:	C[6a]-3:C[6a]-3:Ga-3:	Ga-3:	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	C[6a](C[6a]C[6a]2)2(GaGaI)	I(GaC[6a]Ga)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	C[6a](C[6a]C[6a]2)2(GaGaI){2|H<1>,5|C<3>}	I(GaC[6a]Ga)	118.9860	0.334	2	118.9860	0.111	2	118.9860	0.111	2	116.7202	7.007	4	116.7202	7.007	4	116.7202	7.007	4
969	643	969	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Ga	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:Ga-3:I-1:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:Ga-3:I-1:	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	C[6a](C[6a]C[6a]2)2(GaGaI)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	C[6a](C[6a]C[6a]2)2(GaGaI){2|H<1>,5|C<3>}	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	130.0100	0.634	2	130.0100	0.401	2	130.0100	0.401	2	130.0100	0.401	2	130.0100	0.401	2	130.0100	0.401	2
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	1:1:1:	3:	3:	Cl-1:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(Cl)3	Cl(GaCl2)	Cl(GaCl2)	Ga(Cl)3	Cl(GaCl2)	Cl(GaCl2)	113.0149	12.100	11	113.0149	146.402	11	113.0149	146.402	11	112.8922	122.208	13	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	1:1:1:	3:	3:	Cl-1:Cl-1:H-1:	Ga-3:	Ga-3:	Ga(Cl)2(H)	Cl(GaClH)	Cl(GaClH)	Ga(Cl)2(H)	Cl(GaClH)	Cl(GaClH)	112.2170	1.182	2	112.2170	1.398	2	112.2170	1.398	2	112.8922	122.208	13	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:	3:	3:	C[5]-3:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(C[5]N[5]2)(Cl)2	Cl(GaC[5]Cl)	Cl(GaC[5]Cl)	Ga(C[5]N[5]2)(Cl)2	Cl(GaC[5]Cl)	Cl(GaC[5]Cl)	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	109.4236	61.984	7	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:	3:	3:	N-3:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(NSiC)(Cl)2	Cl(GaClN)	Cl(GaClN)	Ga(NSiC)(Cl)2	Cl(GaClN)	Cl(GaClN)	103.1410	0.000	2	103.1410	0.000	2	103.1410	0.000	2	109.4236	61.984	7	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:	3:	3:	N[5a]-3:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(N[5a]C[5a,6a]2)(Cl)2	Cl(GaN[5a]Cl)	Cl(GaN[5a]Cl)	Ga(N[5a]C[5a,6a]2)(Cl)2	Cl(GaN[5a]Cl)	Cl(GaN[5a]Cl)	113.2780	0.000	1	113.2780	0.000	1	113.5430	98.946	3	109.4236	61.984	7	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:	3:	3:	N[5a]-3:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	Cl(GaN[5a]Cl)	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	Cl(GaN[5a]Cl)	113.6755	14.064	2	113.6755	197.786	2	113.5430	98.946	3	109.4236	61.984	7	111.6782	99.639	20	111.6782	99.639	20
969	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:	3:	3:	N[6]-3:Cl-1:Cl-1:	Ga-3:	Ga-3:	Ga(N[6]C[6]2)(Cl)2	Cl(GaN[6]Cl)	Cl(GaN[6]Cl)	Ga(N[6]C[6]2)(Cl)2	Cl(GaN[6]Cl)	Cl(GaN[6]Cl)	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	109.4236	61.984	7	111.6782	99.639	20	111.6782	99.639	20
969	790	813	0:SP-NON_SP-NON_SP2	Ga	Cl	N[5a]	3:1:1:	3:	3:3:3:	N[5a]-3:Cl-1:Cl-1:	Ga-3:	C[5a,6a]-3:C[5a,6a]-3:Ga-3:	Ga(N[5a]C[5a,6a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2)	Ga(N[5a]C[5a,6a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2){6|C<3>}	122.5530	3.108	2	122.5530	9.662	2	122.5530	9.662	2	122.8912	163.298	6	122.8912	163.298	6	122.8912	163.298	6
969	790	813	0:SP-NON_SP-NON_SP2	Ga	Cl	N[5a]	3:1:1:	3:	3:3:3:	N[5a]-3:Cl-1:Cl-1:	Ga-3:	C[5a]-3:C[5a]-3:Ga-3:	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a]C[5a]C[6a])2(GaCl2)	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a]C[5a]C[6a])2(GaCl2){2|C<3>,2|H<1>,2|N<2>}	117.9900	0.208	2	117.9900	0.043	2	123.0602	268.829	4	122.8912	163.298	6	122.8912	163.298	6	122.8912	163.298	6
969	790	813	0:SP-NON_SP-NON_SP2	Ga	Cl	N[5a]	3:1:1:	3:	3:3:3:	N[5a]-3:Cl-1:Cl-1:	Ga-3:	C[5a]-3:C[5a]-3:Ga-3:	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a]C[5a]P)2(GaCl2)	Ga(N[5a]C[5a]2)(Cl)2	Cl(GaN[5a]Cl)	N[5a](C[5a]C[5a]P)2(GaCl2){2|H<1>}	128.1305	26.526	2	128.1305	703.613	2	123.0602	268.829	4	122.8912	163.298	6	122.8912	163.298	6	122.8912	163.298	6
969	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:	3:	3:3:3:	C[5]-3:Cl-1:Cl-1:	Ga-3:	N[5]-3:N[5]-3:Ga-3:	Ga(C[5]N[5]2)(Cl)2	Cl(GaC[5]Cl)	C[5](N[5]C[6a]C[5])2(GaCl2)	Ga(C[5]N[5]2)(Cl)2	Cl(GaC[5]Cl)	C[5](N[5]C[6a]C[5])2(GaCl2){2|H<1>,4|C<3>}	107.1500	2.793	2	107.1500	7.801	2	107.1500	7.801	2	107.1500	7.801	2	107.1500	7.801	2	107.1500	7.801	2
969	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:	3:	3:3:3:	N[6]-3:Cl-1:Cl-1:	Ga-3:	C[6]-3:C[6]-3:Ga-3:	Ga(N[6]C[6]2)(Cl)2	Cl(GaN[6]Cl)	N[6](C[6]C[6]C)2(GaCl2)	Ga(N[6]C[6]2)(Cl)2	Cl(GaN[6]Cl)	N[6](C[6]C[6]C)2(GaCl2){1|C<3>,2|H<1>}	122.8865	25.944	2	122.8865	673.115	2	122.8865	673.115	2	122.8865	673.115	2	122.8865	673.115	2	122.8865	673.115	2
969	790	893	0:SP-NON_SP-NON_SP3	Ga	Cl	O	2:2:1:	3:	3:4:	O-2:O-2:Cl-1:	Ga-3:	Ga-3:C-4:	Ga(OC)2(Cl)	Cl(GaOO)	O(GaClO)(CCCH)	Ga(OC)2(Cl)	Cl(GaOO)	O(GaClO)(CCCH)	120.5465	1.415	2	120.5465	2.002	2	120.5465	2.002	2	120.5465	2.002	2	120.5465	2.002	2	120.5465	2.002	2
969	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	1:1:1:	3:	3:	Cl-1:Cl-1:H-1:	Ga-3:	Ga-3:	Ga(Cl)2(H)	Cl(GaClH)	H(GaCl2)	Ga(Cl)2(H)	Cl(GaClH)	H(GaCl2)	124.0297	1.154	3	124.0297	1.333	3	124.0297	1.333	3	122.1645	14.804	4	122.1645	14.804	4	122.1645	14.804	4
969	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	1:1:1:	3:	3:	Cl-1:H-1:H-1:	Ga-3:	Ga-3:	Ga(Cl)(H)2	Cl(GaHH)	H(GaClH)	Ga(Cl)(H)2	Cl(GaHH)	H(GaClH)	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	122.1645	14.804	4	122.1645	14.804	4	122.1645	14.804	4
969	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:1:1:	3:	4:3:4:	N-3:Cl-1:Cl-1:	Ga-3:	Si-4:Ga-3:C-4:	Ga(NSiC)(Cl)2	Cl(GaClN)	N(SiC[5]CC)(GaCl2)(CC3)	Ga(NSiC)(Cl)2	Cl(GaClN)	N(SiC[5]CC)(GaCl2)(CC3)	117.5595	1.317	4	117.5595	1.734	4	117.5595	1.734	4	117.5595	1.734	4	117.5595	1.734	4	117.5595	1.734	4
969	856	944	0:SP-NON_SP-NON_SP2	Ga	N[6]	I	3:1:1:	3:3:3:	3:	N[6]-3:I-1:I-1:	C[6]-3:C[6]-3:Ga-3:	Ga-3:	Ga(N[6]C[6]2)(I)2	N[6](C[6]C[6]C)2(GaII)	I(GaN[6]I)	Ga(N[6]C[6]2)(I)2	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	I(GaN[6]I)	121.7011	25.005	6	121.7011	625.261	6	121.7011	625.261	6	121.7011	625.261	6	121.7011	625.261	6	121.7011	625.261	6
969	893	893	0:SP-NON_SP3_SP3	Ga	O	O	2:2:1:	3:4:	3:4:	O-2:O-2:Cl-1:	Ga-3:C-4:	Ga-3:C-4:	Ga(OC)2(Cl)	O(GaClO)(CCCH)	O(GaClO)(CCCH)	Ga(OC)2(Cl)	O(GaClO)(CCCH)	O(GaClO)(CCCH)	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.2246	81.632	5	118.2246	81.632	5
969	893	893	0:SP-NON_SP3_SP3	Ga	O	O	2:2:2:	4:3:	4:3:	O-2:O-2:O-2:	C-4:Ga-3:	C-4:Ga-3:	Ga(OC)3	O(CCCH)(GaOO)	O(CCCH)(GaOO)	Ga(OC)3	O(CCCH)(GaOO)	O(CCCH)(GaOO)	119.9167	11.923	3	119.9167	142.155	3	119.9167	142.155	3	119.9167	142.155	3	118.2246	81.632	5	118.2246	81.632	5
969	893	893	0:SP-NON_SP3_SP3	Ga	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	C-4:Ga-3:	C-4:Ga-3:	Ga(CH3)(OC)2	O(CCCH)(GaCO)	O(CCCH)(GaCO)	Ga(CH3)(OC)2	O(CCCH)(GaCO)	O(CCCH)(GaCO)	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	118.2246	81.632	5	118.2246	81.632	5
969	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:1:	3:3:	3:3:	S-2:S-2:I-1:	C[5]-3:Ga-3:	C[5]-3:Ga-3:	Ga(SC[5])2(I)	S(C[5]N[5]2)(GaIS)	S(C[5]N[5]2)(GaIS)	Ga(SC[5])2(I)	S(C[5]N[5]2)(GaIS)	S(C[5]N[5]2)(GaIS)	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1
969	909	944	0:SP-NON_SP-NON_SP2	Ga	S	I	2:2:1:	3:3:	3:	S-2:S-2:I-1:	C[5]-3:Ga-3:	Ga-3:	Ga(SC[5])2(I)	S(C[5]N[5]2)(GaIS)	I(GaSS)	Ga(SC[5])2(I)	S(C[5]N[5]2)(GaIS)	I(GaSS)	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1
969	930	930	0:SP-NON_SP2_SP2	Ga	C	C	3:3:4:	3:3:3:	3:3:3:	C-3:C-3:C-4:	C[6a]-3:Ga-3:C-3:	C[6a]-3:Ga-3:C-3:	Ga(CC[6a]C)2(CCHH)	C(C[6a]C[6a]2)(GaCC)(CCH)	C(C[6a]C[6a]2)(GaCC)(CCH)	Ga(CC[6a]C)2(CCHH)	C(C[6a]C[6a]2)(GaCC)(CCH)	C(C[6a]C[6a]2)(GaCC)(CCH)	123.4518	0.280	4	123.4518	0.078	4	123.4518	0.078	4	123.4518	0.078	4	123.4518	0.078	4	123.4518	0.078	4
969	930	944	0:SP-NON_SP-NON_SP2	Ga	C	I	3:1:1:	3:4:3:	3:	C-3:I-1:I-1:	C-3:Si-4:Ga-3:	Ga-3:	Ga(CSiC)(I)2	C(CC[5,5]C)(SiC3)(GaII)	I(GaCI)	Ga(CSiC)(I)2	C(CC[5,5]C)(SiC3)(GaII)	I(GaCI)	115.0815	1.661	4	115.0815	2.759	4	115.0815	2.759	4	115.0815	2.759	4	115.0815	2.759	4	115.0815	2.759	4
969	943	944	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	I	4:4:1:	3:3:3:1:	3:	Ga[6]-4:Ga-4:I-1:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga-3:	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	I(GaGa[6]Ga)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	I(GaGa[6]Ga)	101.1620	0.000	1	101.1620	0.000	1	101.1620	0.000	1	101.1620	0.000	1	101.1620	0.000	1	101.1620	0.000	1
969	943	984	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	Ga	4:4:1:	3:3:3:1:	4:3:3:1:	Ga[6]-4:Ga-4:I-1:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	162.0220	0.000	1	162.0220	0.000	1	162.0220	0.000	1	162.0220	0.000	1	162.0220	0.000	1	162.0220	0.000	1
969	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:	3:	3:	C-3:I-1:I-1:	Ga-3:	Ga-3:	Ga(CSiC)(I)2	I(GaCI)	I(GaCI)	Ga(CSiC)(I)2	I(GaCI)	I(GaCI)	114.5880	0.000	2	114.5880	0.000	2	114.5880	0.000	2	115.7560	8.888	5	113.6051	13.052	11	113.6051	13.052	11
969	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:	3:	3:	N[6]-3:I-1:I-1:	Ga-3:	Ga-3:	Ga(N[6]C[6]2)(I)2	I(GaN[6]I)	I(GaN[6]I)	Ga(N[6]C[6]2)(I)2	I(GaN[6]I)	I(GaN[6]I)	116.5347	3.937	3	116.5347	15.502	3	116.5347	15.502	3	115.7560	8.888	5	113.6051	13.052	11	113.6051	13.052	11
969	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:	3:	3:	C-4:I-1:I-1:	Ga-3:	Ga-3:	Ga(CGaSiC)(I)2	I(GaCI)	I(GaCI)	Ga(CGaSiC)(I)2	I(GaCI)	I(GaCI)	111.8127	3.242	6	111.8127	10.511	6	111.8127	10.511	6	111.8127	10.511	6	113.6051	13.052	11	113.6051	13.052	11
969	944	969	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	3:3:1:	3:	3:3:1:	C[6a]-3:Ga-3:I-1:	Ga-3:	C[6a]-3:Ga-3:I-1:	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	I(GaC[6a]Ga)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	I(GaC[6a]Ga)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	111.0030	0.298	2	111.0030	0.089	2	111.0030	0.089	2	111.0030	0.089	2	104.4834	127.559	3	104.4834	127.559	3
969	944	969	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:3:1:	3:	4:3:1:	C-4:Ga-3:I-1:	Ga-3:	C-4:Ga-3:I-1:	Ga(CSi3)(GaCI)(I)	I(GaGaC)	Ga(CSi3)(GaCI)(I)	Ga(CSi3)(GaCI)(I)	I(GaGaC)	Ga(CSi3)(GaCI)(I)	91.4443	0.000	1	91.4443	0.000	1	91.4443	0.000	1	91.4443	0.000	1	104.4834	127.559	3	104.4834	127.559	3
969	944	984	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:4:1:	3:	4:3:3:1:	Ga[6]-4:Ga-4:I-1:	Ga-3:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	I(GaGa[6]Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	I(GaGa[6]Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	95.2251	0.000	1	95.2251	0.000	1	95.2251	0.000	1	95.2251	0.000	1	95.2251	0.000	1	95.2251	0.000	1
969	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	1:1:1:	3:	3:	Cl-1:H-1:H-1:	Ga-3:	Ga-3:	Ga(Cl)(H)2	H(GaClH)	H(GaClH)	Ga(Cl)(H)2	H(GaClH)	H(GaClH)	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1	126.8620	0.000	1
969	956	956	0:SP-NON_SP2_SP2	Ga	N	N	3:3:3:	4:3:3:	4:3:3:	N-3:N-3:N-3:	C-4:Ga-3:C-3:	C-4:Ga-3:C-3:	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	N(CCCH)(GaNN)(CNN)	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	N(CCCH)(GaNN)(CNN)	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1
969	956	956	0:SP-NON_SP2_SP3	Ga	N	N	3:3:3:	4:3:3:	3:4:4:	N-3:N-3:N-3:	C-4:Ga-3:C-3:	Ga-3:C-4:C-4:	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	N(GaNN)(CH3)2	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	N(GaNN)(CH3)2	119.8265	2.510	2	119.8265	6.298	2	119.8265	6.298	2	119.8265	6.298	2	119.8265	6.298	2	119.8265	6.298	2
969	983	983	0:SP-NON_SP1_SP1	Ga	C	C	2:2:2:	3:2:	3:2:	C-2:C-2:C-2:	Ga-3:C-2:	Ga-3:C-2:	Ga(CC)3	C(GaCC)(CC)	C(GaCC)(CC)	Ga(CC)3	C(GaCC)(CC)	C(GaCC)(CC)	119.6935	1.289	2	119.6935	1.662	2	119.6935	1.662	2	119.6935	1.662	2	119.6935	1.662	2	119.6935	1.662	2
970	830	830	0:SPD6_SP-NON_SP-NON	Cl	F	F	1:1:1:1:1:1:	6:	6:	F-1:F-1:F-1:F-1:F-1:F-1:	Cl-6:	Cl-6:	Cl(F)6	F(ClF5)	F(ClF5)	Cl(F)6	F(ClF5)	F(ClF5)	97.5001	25.982	12	97.5001	675.053	12	97.5001	675.053	12	97.5001	675.053	12	97.5001	675.053	12	97.5001	675.053	12
970	863	863	0:SPD6_SP2_SP2	Cl	O	O	1:1:1:1:1:1:	6:	6:	O-1:O-1:O-1:O-1:O-1:O-1:	Cl-6:	Cl-6:	Cl(O)6	O(ClO5)	O(ClO5)	Cl(O)6	O(ClO5)	O(ClO5)	105.3240	34.391	9	105.3240	1182.770	9	105.3240	1182.770	9	105.3240	1182.770	9	105.3240	1182.770	9	105.3240	1182.770	9
971	490	790	0:SP-NON_SP-NON_SP3	I	C	Cl	4:1:1:	3:1:1:1:	3:	C-4:Cl-1:Cl-1:	I-3:F-1:F-1:F-1:	I-3:	I(CF3)(Cl)2	C(ICl2)(F)3	Cl(IClC)	I(CF3)(Cl)2	C(ICl2)(F)3	Cl(IClC)	85.8123	4.078	2	85.8123	16.631	2	85.8123	16.631	2	84.8824	10.910	3	84.8824	10.910	3	84.8824	10.910	3
971	490	790	0:SP-NON_SP-NON_SP3	I	C	Cl	4:1:1:	3:1:1:1:	3:	C-4:Cl-1:F-1:	I-3:F-1:F-1:F-1:	I-3:	I(CF3)(Cl)(F)	C(IClF)(F)3	Cl(ICF)	I(CF3)(Cl)(F)	C(IClF)(F)3	Cl(ICF)	83.0227	0.000	1	83.0227	0.000	1	83.0227	0.000	1	84.8824	10.910	3	84.8824	10.910	3	84.8824	10.910	3
971	490	830	0:SP-NON_SP-NON_SP3	I	C	F	4:1:1:	3:1:1:1:	3:	C-4:Cl-1:F-1:	I-3:F-1:F-1:F-1:	I-3:	I(CF3)(Cl)(F)	C(IClF)(F)3	F(IClC)	I(CF3)(Cl)(F)	C(IClF)(F)3	F(IClC)	84.2488	0.000	1	84.2488	0.000	1	84.2488	0.000	1	84.2488	0.000	1	84.2488	0.000	1	84.2488	0.000	1
971	643	790	0:SP-NON_SP-NON_SP2	I	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(ICl2)	Cl(IC[6a]Cl)	I(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(ICl2){1|C<3>,2|H<1>}	Cl(IC[6a]Cl)	88.4688	0.498	4	88.4688	0.248	4	88.4688	0.248	4	88.4688	0.248	4	88.4688	0.248	4	88.4688	0.248	4
971	643	830	0:SP-NON_SP-NON_SP2	I	C[6a]	F	3:1:1:	3:3:3:	3:	C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(IFF)	F(IC[6a]F)	I(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(IFF){1|C<3>,2|H<1>}	F(IC[6a]F)	85.9620	1.048	6	85.9620	1.098	6	85.9620	1.098	6	85.9620	1.098	6	85.9620	1.098	6	85.9620	1.098	6
971	643	856	0:SP-NON_SP2_SP2	I	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:I-3:	I-3:C[6]-3:C[6]-3:	I(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(IN[6]2)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	I(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(IN[6]2){1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	83.6809	0.234	2	83.6809	0.055	2	84.7243	2.035	5	84.7243	2.035	5	84.7243	2.035	5	84.7243	2.035	5
971	643	856	0:SP-NON_SP2_SP2	I	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:I-3:	I-3:C[6]-3:C[6]-3:	I(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(IN[6]2)	N[6](IC[6a]N[6])(C[6]C[6]H)2	I(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(IN[6]2){1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	85.4199	1.493	3	85.4199	2.228	3	84.7243	2.035	5	84.7243	2.035	5	84.7243	2.035	5	84.7243	2.035	5
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:I-3:	I-3:	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO)	O(IC[6a]O)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	93.6048	1.050	2	93.6048	1.103	2	95.4402	1.844	8	95.4402	1.844	8	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:I-3:	I-3:	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	O(IC[6a]O)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	96.0521	0.751	6	96.0521	0.565	6	95.4402	1.844	8	95.4402	1.844	8	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6,6a]-3:C[5,6,6a]-3:I-3:	I-3:	I(C[6a]C[5,6,6a]2)(O)2	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO)	O(IC[6a]O)	I(C[6a]C[5,6,6a]2)(O)2	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO){1|C<3>,2|H<1>,6|C<4>}	O(IC[6a]O)	99.1335	5.008	2	99.1335	25.084	2	99.1335	25.084	2	96.4488	8.005	30	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	O(IC[6a]O)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	95.8290	3.041	16	95.8290	9.250	16	96.2570	7.097	28	96.4488	8.005	30	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO)	O(IC[6a]O)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	98.6369	1.076	2	98.6369	1.158	2	96.2570	7.097	28	96.4488	8.005	30	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO)	O(IC[6a]O)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	97.6639	0.135	2	97.6639	0.018	2	96.2570	7.097	28	96.4488	8.005	30	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO)	O(IC[6a]O)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	96.1664	2.185	8	96.1664	4.773	8	96.2570	7.097	28	96.4488	8.005	30	96.3371	7.013	39	96.3371	7.013	39
971	643	863	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	O(IC[6a]O)	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)	100.1600	0.000	1	100.1600	0.000	1	100.1600	0.000	1	100.1600	0.000	1	96.3371	7.013	39	96.3371	7.013	39
971	643	893	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:I-3:	I-3:C-3:	I(C[6a]C[6,6a]C[6a])(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO)	O(IC[6a]O)(CCO)	I(C[6a]C[6,6a]C[6a])(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(IC[6a]O)(CCO)	82.3828	1.046	8	82.3828	1.094	8	82.3828	1.094	8	81.2987	3.489	25	81.2987	3.489	25	81.2987	3.489	25
971	643	893	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:C-3:	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO)	O(IC[6a]O)(CCO)	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO){2|C<4>,3|C<3>}	O(IC[6a]O)(CCO)	80.5315	0.997	2	80.5315	0.994	2	80.7885	3.890	17	81.2987	3.489	25	81.2987	3.489	25	81.2987	3.489	25
971	643	893	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:C-3:	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(CCO)	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(CCO)	79.3501	1.292	8	79.3501	1.670	8	80.7885	3.890	17	81.2987	3.489	25	81.2987	3.489	25	81.2987	3.489	25
971	643	893	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:C-3:	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(CCO)	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(CCO)	83.4917	1.587	2	82.5058	2.039	7	80.7885	3.890	17	81.2987	3.489	25	81.2987	3.489	25	81.2987	3.489	25
971	643	893	0:SP-NON_SP2_SP2	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:C-3:	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(CCO)	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO){1|H<1>,2|C<3>}	O(IC[6a]O)(CCO)	82.1114	1.322	5	82.5058	2.039	7	80.7885	3.890	17	81.2987	3.489	25	81.2987	3.489	25	81.2987	3.489	25
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:I-3:	I-3:H-1:	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	O(IC[6a]O)(H)	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(H)	90.8060	0.000	1	90.8060	0.000	1	90.8060	0.000	1	90.8060	0.000	1	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:2:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:I-2:	I(C[6a]C[6a]2)(OI)(OS)	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(IC[6a])	I(C[6a]C[6a]2)(OI)(OS)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(IC[6a])	89.0585	0.000	1	89.0585	0.000	1	88.4120	0.392	3	88.4120	0.392	3	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:2:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:I-2:	I(C[6a]C[6a]2)(OI)2	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(IC[6a])	I(C[6a]C[6a]2)(OI)2	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(IC[6a])	88.0888	0.395	2	88.0888	0.156	2	88.4120	0.392	3	88.4120	0.392	3	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:I-3:	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO)	O(IC[6a]O)2	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO){2|C<4>,3|C<3>}	O(IC[6a]O)2	89.5589	2.217	2	89.5589	4.916	2	88.8711	3.993	14	88.8711	3.993	14	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:I-3:	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)2	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)2	89.4774	2.115	8	89.4774	4.475	8	88.8711	3.993	14	88.8711	3.993	14	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:I-3:	I(C[6a]C[6a]2)(OI)2	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)2	I(C[6a]C[6a]2)(OI)2	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)2	87.3144	0.835	4	87.3144	0.697	4	88.8711	3.993	14	88.8711	3.993	14	88.7527	3.593	19	88.7527	3.593	19
971	643	893	0:SP-NON_SP2_SP3	I	C[6a]	O	3:2:2:	3:3:3:	3:4:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:I-3:	I-3:S-4:	I(C[6a]C[6a]2)(OI)(OS)	C[6a](C[6a]C[6a]H)2(IOO)	O(IC[6a]O)(SO3)	I(C[6a]C[6a]2)(OI)(OS)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	O(IC[6a]O)(SO3)	86.0649	0.000	1	86.0649	0.000	1	86.0649	0.000	1	86.0649	0.000	1	88.7527	3.593	19	88.7527	3.593	19
971	790	790	0:SP-NON_SP-NON_SP-NON	I	Cl	Cl	3:1:1:	3:	3:	C[6a]-3:Cl-1:Cl-1:	I-3:	I-3:	I(C[6a]C[6a]2)(Cl)2	Cl(IC[6a]Cl)	Cl(IC[6a]Cl)	I(C[6a]C[6a]2)(Cl)2	Cl(IC[6a]Cl)	Cl(IC[6a]Cl)	176.6985	0.004	2	176.6985	0.000	2	176.6985	0.000	2	176.6985	0.000	2	175.0073	8.580	3	175.0073	8.580	3
971	790	790	0:SP-NON_SP-NON_SP-NON	I	Cl	Cl	4:1:1:	3:	3:	C-4:Cl-1:Cl-1:	I-3:	I-3:	I(CF3)(Cl)2	Cl(IClC)	Cl(IClC)	I(CF3)(Cl)2	Cl(IClC)	Cl(IClC)	171.6250	0.000	1	171.6250	0.000	1	171.6250	0.000	1	171.6250	0.000	1	175.0073	8.580	3	175.0073	8.580	3
971	790	830	0:SP-NON_SP-NON_SP-NON	I	Cl	F	4:1:1:	3:	3:	C-4:Cl-1:F-1:	I-3:	I-3:	I(CF3)(Cl)(F)	Cl(ICF)	F(IClC)	I(CF3)(Cl)(F)	Cl(ICF)	F(IClC)	167.2720	0.000	1	167.2720	0.000	1	167.2720	0.000	1	167.2720	0.000	1	167.2720	0.000	1	167.2720	0.000	1
971	830	830	0:SP-NON_SP-NON_SP-NON	I	F	F	3:1:1:	3:	3:	C[6a]-3:F-1:F-1:	I-3:	I-3:	I(C[6a]C[6a]2)(F)2	F(IC[6a]F)	F(IC[6a]F)	I(C[6a]C[6a]2)(F)2	F(IC[6a]F)	F(IC[6a]F)	171.7283	1.456	3	171.7283	2.120	3	171.7283	2.120	3	171.7283	2.120	3	171.7283	2.120	3	171.7283	2.120	3
971	856	856	0:SP-NON_SP2_SP2	I	N[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:N[6]-3:	I-3:C[6]-3:C[6]-3:	I-3:C[6]-3:C[6]-3:	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	167.3620	0.000	1	167.3620	0.000	1	169.1450	8.190	3	169.1450	8.190	3	169.1450	8.190	3	169.1450	8.190	3
971	856	856	0:SP-NON_SP2_SP2	I	N[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:N[6]-3:	I-3:C[6]-3:C[6]-3:	I-3:C[6]-3:C[6]-3:	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)2	N[6](IC[6a]N[6])(C[6]C[6]H)2	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	170.0365	3.408	2	170.0365	11.611	2	169.1450	8.190	3	169.1450	8.190	3	169.1450	8.190	3	169.1450	8.190	3
971	863	863	0:SP-NON_SP2_SP2	I	O	O	1:1:1:	3:	3:	O-1:O-1:O-1:	I-3:	I-3:	I(O)3	O(IOO)	O(IOO)	I(O)3	O(IOO)	O(IOO)	98.2758	2.170	18	98.2758	4.709	18	98.2758	4.709	18	98.2758	4.709	18	99.4376	6.559	38	99.4376	6.559	38
971	863	863	0:SP-NON_SP2_SP2	I	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	I-3:	I-3:	I(OH)(O)2	O(IOO)	O(IOO)	I(OH)(O)2	O(IOO)	O(IOO)	100.3290	0.000	1	100.3290	0.000	1	100.3290	0.000	1	100.3290	0.000	1	99.4376	6.559	38	99.4376	6.559	38
971	863	863	0:SP-NON_SP2_SP2	I	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	I-3:	I-3:	I(C[6a]C[5,6,6a]2)(O)2	O(IC[6a]O)	O(IC[6a]O)	I(C[6a]C[5,6,6a]2)(O)2	O(IC[6a]O)	O(IC[6a]O)	100.4870	0.000	1	100.4870	0.000	1	100.4913	6.468	19	100.4913	6.468	19	99.4376	6.559	38	99.4376	6.559	38
971	863	863	0:SP-NON_SP2_SP2	I	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	I-3:	I-3:	I(C[6a]C[6a]2)(O)2	O(IC[6a]O)	O(IC[6a]O)	I(C[6a]C[6a]2)(O)2	O(IC[6a]O)	O(IC[6a]O)	100.1521	2.890	14	100.1521	8.351	14	100.4913	6.468	19	100.4913	6.468	19	99.4376	6.559	38	99.4376	6.559	38
971	863	863	0:SP-NON_SP2_SP2	I	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	I-3:	I-3:	I(C[6a]C[6a]N[6a])(O)2	O(IC[6a]O)	O(IC[6a]O)	I(C[6a]C[6a]N[6a])(O)2	O(IC[6a]O)	O(IC[6a]O)	101.6795	0.452	4	101.6795	0.204	4	100.4913	6.468	19	100.4913	6.468	19	99.4376	6.559	38	99.4376	6.559	38
971	863	893	0:SP-NON_SP2_SP3	I	O	O	2:1:1:	3:	3:1:	O-2:O-1:O-1:	I-3:	I-3:H-1:	I(OH)(O)2	O(IOO)	O(IOO)(H)	I(OH)(O)2	O(IOO)	O(IOO)(H)	94.6993	0.142	2	94.6993	0.020	2	94.6993	0.020	2	94.6993	0.020	2	95.3096	1.128	3	95.3096	1.128	3
971	863	893	0:SP-NON_SP2_SP3	I	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	I-3:	I-3:H-1:	I(C[6a]C[6a]2)(OH)(O)	O(IC[6a]O)	O(IC[6a]O)(H)	I(C[6a]C[6a]2)(OH)(O)	O(IC[6a]O)	O(IC[6a]O)(H)	96.5304	0.000	1	96.5304	0.000	1	96.5304	0.000	1	96.5304	0.000	1	95.3096	1.128	3	95.3096	1.128	3
971	893	893	0:SP-NON_SP2_SP2	I	O	O	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:O-2:	I-3:C-3:	I-3:C-3:	I(C[6a]C[6,6a]C[6a])(OC)2	O(IC[6a]O)(CCO)	O(IC[6a]O)(CCO)	I(C[6a]C[6,6a]C[6a])(OC)2	O(IC[6a]O)(CCO)	O(IC[6a]O)(CCO)	164.6820	1.865	4	164.6820	3.478	4	164.5567	2.514	8	164.5567	2.514	8	164.5567	2.514	8	164.5567	2.514	8
971	893	893	0:SP-NON_SP2_SP2	I	O	O	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:O-2:	I-3:C-3:	I-3:C-3:	I(C[6a]C[6a]2)(OC)2	O(IC[6a]O)(CCO)	O(IC[6a]O)(CCO)	I(C[6a]C[6a]2)(OC)2	O(IC[6a]O)(CCO)	O(IC[6a]O)(CCO)	164.4315	1.532	4	164.4315	2.346	4	164.5567	2.514	8	164.5567	2.514	8	164.5567	2.514	8	164.5567	2.514	8
971	893	893	0:SP-NON_SP2_SP3	I	O	O	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:O-2:	I-3:C-3:	I-3:I-3:	I(C[6a]C[6a]2)(OC)(OI)	O(IC[6a]O)(CCO)	O(IC[6a]O)2	I(C[6a]C[6a]2)(OC)(OI)	O(IC[6a]O)(CCO)	O(IC[6a]O)2	168.6955	1.735	10	168.6955	3.009	10	168.6955	3.009	10	168.6955	3.009	10	168.6955	3.009	10	168.6955	3.009	10
971	893	893	0:SP-NON_SP3_SP3	I	O	O	3:2:2:	3:2:	3:3:	C[6a]-3:O-2:O-2:	I-3:I-2:	I-3:I-3:	I(C[6a]C[6a]2)(OI)2	O(IC[6a]O)(IC[6a])	O(IC[6a]O)2	I(C[6a]C[6a]2)(OI)2	O(IC[6a]O)(IC[6a])	O(IC[6a]O)2	174.4545	0.954	2	174.4545	0.910	2	174.4545	0.910	2	174.4545	0.910	2	174.0913	1.718	4	174.0913	1.718	4
971	893	893	0:SP-NON_SP3_SP3	I	O	O	3:2:2:	3:2:	3:4:	C[6a]-3:O-2:O-2:	I-3:I-2:	I-3:S-4:	I(C[6a]C[6a]2)(OI)(OS)	O(IC[6a]O)(IC[6a])	O(IC[6a]O)(SO3)	I(C[6a]C[6a]2)(OI)(OS)	O(IC[6a]O)(IC[6a])	O(IC[6a]O)(SO3)	172.3650	0.000	1	172.3650	0.000	1	172.3650	0.000	1	172.3650	0.000	1	174.0913	1.718	4	174.0913	1.718	4
971	893	893	0:SP-NON_SP3_SP3	I	O	O	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:O-2:	I-3:I-3:	I-3:I-3:	I(C[6a]C[6a]2)(OI)2	O(IC[6a]O)2	O(IC[6a]O)2	I(C[6a]C[6a]2)(OI)2	O(IC[6a]O)2	O(IC[6a]O)2	175.0910	0.000	1	175.0910	0.000	1	175.0910	0.000	1	175.0910	0.000	1	174.0913	1.718	4	174.0913	1.718	4
972	830	830	0:SPD6_SP-NON_SP-NON	I	F	F	1:1:1:1:1:1:	6:	6:	F-1:F-1:F-1:F-1:F-1:F-1:	I-6:	I-6:	I(F)6	F(IF5)	F(IF5)	I(F)6	F(IF5)	F(IF5)	120.0000	51.963	3	120.0000	2700.148	3	120.0000	2700.148	3	120.0000	2700.148	3	120.0000	2700.148	3	120.0000	2700.148	3
974	98	98	5:SP2_SP2_SP2	As[5,5]	As[5,5,6]	As[5,5,6]	3:3:	3:3:2:	2:2:2:	As[5,5,6]-3:As[5,5,6]-3:	As[5,6]-3:As[5,6]-3:As[5,5]-2:	As[5,5]-2:As[5,6]-2:As[5,6]-2:	As[5,5](As[5,5,6]As[5,6]2)2	As[5,5,6](As[5,6]As[5,6]As)(As[5,6]As[5,6]Hg)(As[5,5]As[5,5,6])	As[5,5,6](As[5,5]As[5,5,6])(As[5,6]As[5,6])2	As[5,5](As[5,5,6]As[5,6]2)2{1|As<3>,1|Hg<3>}	As[5,5,6](As[5,6]As[5,6]As)(As[5,6]As[5,6]Hg)(As[5,5]As[5,5,6])	As[5,5,6](As[5,5]As[5,5,6])(As[5,6]As[5,6])2{1|As<3>,1|Hg<3>}	99.5810	0.574	2	99.5810	0.329	2	99.5810	0.329	2	99.5810	0.329	2	99.5810	0.329	2	99.5810	0.329	2
974	98	98	6:SP2_SP2_SP2	As[5,6]	As[5,6]	As[5,5,6]	3:3:	3:2:3:	2:2:2:	As[5,5,6]-3:As[5,6]-3:	As[5,5,6]-3:As[5,6]-2:As-3:	As[5,5]-2:As[5,6]-2:As[5,6]-2:	As[5,6](As[5,5,6]As[5,5]As[5,6])(As[5,6]As[5,5,6]As)	As[5,6](As[5,5,6]As[5,5]As[5,6])(As[5,6]As[5,5,6])(AsAs[5,6]Hg)	As[5,5,6](As[5,5]As[5,5,6])(As[5,6]As[5,6])2	As[5,6](As[5,5,6]As[5,5]As[5,6])(As[5,6]As[5,5,6]As){1|As<3>}	As[5,6](As[5,5,6]As[5,5]As[5,6])(As[5,6]As[5,5,6])(AsAs[5,6]Hg){1|As<2>}	As[5,5,6](As[5,5]As[5,5,6])(As[5,6]As[5,6])2{1|As<3>,1|Hg<3>}	100.4700	0.590	2	100.4700	0.348	2	100.4700	0.348	2	100.4700	0.348	2	100.4700	0.348	2	100.4700	0.348	2
974	98	822	5:SP2_SP2_SP2	As[5,5]	As[3x5]	As[3,5,5]	3:3:	3:2:2:	3:3:2:	As[3,5,5]-3:As[3x5]-3:	As[5,5]-3:As[5,5]-2:As[5,5]-2:	As[3,5,5]-3:As[3,5,5]-3:As[5,5]-2:	As[5,5](As[3,5,5]As[3,5,5]2)(As[3x5]As[5,5]2)	As[3x5](As[5,5]As[3,5,5]Sn)(As[5,5]As[3,5,5])2	As[3,5,5](As[3,5,5]As[3,5,5]As[5,5])2(As[5,5]As[3x5])	As[5,5](As[3,5,5]As[3,5,5]2)(As[3x5]As[5,5]2){1|Sn<3>}	As[3x5](As[5,5]As[3,5,5]Sn)(As[5,5]As[3,5,5])2	As[3,5,5](As[3,5,5]As[3,5,5]As[5,5])2(As[5,5]As[3x5]){1|Sn<3>}	100.5240	1.287	2	100.5240	1.656	2	100.5240	1.656	2	100.5240	1.656	2	100.5240	1.656	2	100.5240	1.656	2
974	98	891	6:SP2_SP2_SP2	As[5,6]	As[5,5,6]	S[5,6]	3:2:	2:2:2:	4:2:	As[5,5,6]-3:S[5,6]-2:	S[5,5]-2:As[5,6]-2:As[5,6]-2:	P[5,5,6]-4:As[5,6]-2:	As[5,6](As[5,5,6]As[5,6]S[5,5])(S[5,6]P[5,5,6])	As[5,5,6](S[5,5]P[5,5,6])(As[5,6]S[5,6])2	S[5,6](P[5,5,6]S[5,5]S[5,6]Cu)(As[5,6]As[5,5,6])	As[5,6](As[5,5,6]As[5,6]S[5,5])(S[5,6]P[5,5,6]){1|Cu<4>,1|S<2>}	As[5,5,6](S[5,5]P[5,5,6])(As[5,6]S[5,6])2{1|Cu<4>}	S[5,6](P[5,5,6]S[5,5]S[5,6]Cu)(As[5,6]As[5,5,6]){1|As<2>}	100.4619	1.018	2	100.4619	1.037	2	100.4619	1.037	2	100.4619	1.037	2	100.4619	1.037	2	100.4619	1.037	2
974	98	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	3:2:	3:2:2:	2:2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:As-2:	As[5]-2:As[5]-2:	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Sn)(As[5]As[5])(AsAs)	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5]){1|Sn<3>}	As[5](As[5]As[5]Sn)(As[5]As[5])(AsAs)	As[5](As[5]As[5])2{1|As<2>,1|Sn<3>}	100.2550	0.000	1	100.2550	0.000	1	100.2550	0.000	1	100.2550	0.000	1	98.9720	0.614	5	98.9720	0.614	5
974	98	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	3:2:	3:2:3:	2:2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:As-3:	As[5]-2:As[5]-2:	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Hg)(As[5]As[5])(AsAsHg)	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5]){1|Hg<3>}	As[5](As[5]As[5]Hg)(As[5]As[5])(AsAsHg)	As[5](As[5]As[5])2{1|As<3>,1|Hg<3>}	98.8615	0.000	2	98.8615	0.000	2	98.6512	0.133	4	98.6512	0.133	4	98.9720	0.614	5	98.9720	0.614	5
974	98	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	3:2:	3:2:3:	2:2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:As-3:	As[5]-2:As[5]-2:	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Zn)(As[5]As[5])(AsAsZn)	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5]){1|Zn<4>}	As[5](As[5]As[5]Zn)(As[5]As[5])(AsAsZn)	As[5](As[5]As[5])2{1|As<3>,1|Zn<4>}	98.4410	0.472	2	98.4410	0.223	2	98.6512	0.133	4	98.6512	0.133	4	98.9720	0.614	5	98.9720	0.614	5
974	246	246	5:SP2_SP3_SP3	As[5]	P[5]	P[5]	3:3:	3:4:2:	3:4:2:	P[5]-3:P[5]-3:	P[5]-3:C[6]-4:As[5]-2:	P[5]-3:C[6]-4:As[5]-2:	As[5](P[5]C[6]P[5])2	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5])	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5])	As[5](P[5]C[6]P[5])2{2|H<1>,6|C<4>}	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5]){5|H<1>,6|C<4>}	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5]){5|H<1>,6|C<4>}	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1
974	474	818	5:SP2_SP2_SP3	As[5]	C[5]	C[5]	3:4:	4:2:4:4:	3:2:2:	C[5]-3:C[5]-4:	P[5]-4:As[5]-2:Si-4:Si-4:	C[6a]-3:As[5]-2:O[5]-2:	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2)	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5])	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2){1|O<2>,1|W<9>,2|C<3>}	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2{1|C<3>}	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5]){2|Si<4>,1|O<2>,1|W<9>,2|C<3>,2|H<1>}	90.9221	0.000	1	90.9221	0.000	1	90.9221	0.000	1	90.9221	0.000	1	90.9221	0.000	1	90.9221	0.000	1
974	474	955	5:SP2_SP3_SP3	As[5]	C[5]	P[5]	4:4:	3:2:1:1:	3:3:3:2:	P[5]-4:C[5]-4:	C[5]-3:As[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:As[5]-2:	As[5](P[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[5]C[5]N)(As[5]P[5])(H)2	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(As[5]C[5])	As[5](P[5]C[6a]2C[5])(C[5]C[5]HH){1|N<3>,5|C<3>}	C[5](C[5]C[5]N)(As[5]P[5])(H)2{3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(As[5]C[5]){1|N<3>,4|C<3>,6|H<1>}	86.6816	0.000	1	86.6816	0.000	1	86.6816	0.000	1	86.6816	0.000	1	86.6816	0.000	1	86.6816	0.000	1
974	727	955	5:SP2_SP2_SP3	As[5]	C[5,6a]	P[5]	3:4:	3:3:2:	3:2:3:3:	C[5,6a]-3:P[5]-4:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a]-3:As[5]-2:C[6a]-3:C[6a]-3:	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(C[6a]C[6a]2)2	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	85.7207	0.000	1	85.7207	0.000	1	85.7207	0.000	1	85.7207	0.000	1	86.6422	0.640	3	86.6422	0.640	3
974	727	955	5:SP2_SP2_SP3	As[5]	C[5,6a]	P[5]	3:4:	3:3:2:	3:2:4:4:	C[5,6a]-3:P[5]-4:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[5,6a]-3:As[5]-2:C-4:C-4:	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(CCCH)2	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(CCCH)2{1|H<1>,3|C<3>}	87.1029	0.085	2	87.1029	0.007	2	87.1029	0.007	2	87.1029	0.007	2	86.6422	0.640	3	86.6422	0.640	3
974	891	974	5:SP2_SP2_SP2	As[5]	S[5]	As[5]	2:2:	4:2:	2:2:	As[5]-2:S[5]-2:	P[5]-4:As[5]-2:	As[5]-2:S[5]-2:	As[5](As[5]S[5])(S[5]P[5])	S[5](P[5]S[5]CuS)(As[5]As[5])	As[5](As[5]S[5])(S[5]P[5])	As[5](As[5]S[5])(S[5]P[5]){1|Cu<4>,1|S<2>}	S[5](P[5]S[5]CuS)(As[5]As[5])	As[5](As[5]S[5])(S[5]P[5]){1|Cu<4>,1|S<2>}	100.5178	1.253	2	100.5178	1.571	2	100.5178	1.571	2	100.5178	1.571	2	100.5178	1.571	2	100.5178	1.571	2
974	955	955	5:SP2_SP3_SP3	As[5]	P[5]	P[5]	4:4:	3:3:4:2:	3:3:4:2:	P[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:As[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:As[5]-2:	As[5](P[5]C[6a]2C[5])2	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5])	As[5](P[5]C[6a]2C[5])2{4|H<1>,8|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5]){6|C<3>,6|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5]){6|C<3>,6|H<1>}	85.5351	0.133	2	85.5351	0.018	2	85.5351	0.018	2	85.5351	0.018	2	85.5351	0.018	2	85.5351	0.018	2
974	974	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	2:2:	3:2:	3:2:	As[5]-2:As[5]-2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Hg)(As[5]As[5])	As[5](As[5]As[5])2{1|As<3>,1|Hg<3>}	As[5](As[5]As[5]As)(As[5]As[5]){1|Hg<3>}	As[5](As[5]As[5]Hg)(As[5]As[5]){1|As<3>}	107.2810	0.000	2	107.2810	0.000	2	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5
974	974	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	2:2:	3:2:	3:2:	As[5]-2:As[5]-2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Sn)(As[5]As[5])	As[5](As[5]As[5])2{1|As<2>,1|Sn<3>}	As[5](As[5]As[5]As)(As[5]As[5]){1|Sn<3>}	As[5](As[5]As[5]Sn)(As[5]As[5]){1|As<2>}	106.5600	0.000	1	106.5600	0.000	1	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5
974	974	974	5:SP2_SP2_SP2	As[5]	As[5]	As[5]	2:2:	3:2:	3:2:	As[5]-2:As[5]-2:	As[5]-3:As[5]-2:	As[5]-3:As[5]-2:	As[5](As[5]As[5])2	As[5](As[5]As[5]As)(As[5]As[5])	As[5](As[5]As[5]Zn)(As[5]As[5])	As[5](As[5]As[5])2{1|As<3>,1|Zn<4>}	As[5](As[5]As[5]As)(As[5]As[5]){1|Zn<4>}	As[5](As[5]As[5]Zn)(As[5]As[5]){1|As<3>}	106.5335	0.237	2	106.5335	0.056	2	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5	106.8378	0.178	5
974	987	987	5:SP2_SP-NON_SP-NON	As[5]	P[5]	P[5]	2:2:	3:2:	3:2:	P[5]-2:P[5]-2:	C[5,6a]-3:As[5]-2:	C[5,6a]-3:As[5]-2:	As[5](P[5]C[5,6a])2	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5])	As[5](P[5]C[5,6a])2{2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5]){1|H<1>,2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5]){1|H<1>,2|C<3>}	97.6870	0.000	1	97.6870	0.000	1	97.6870	0.000	1	97.6870	0.000	1	97.6870	0.000	1	97.6870	0.000	1
975	14	643	6:SP3_SP2_SP3	Se[6]	P[6]	C[6,6a]	3:3:	2:2:4:	3:3:2:	C[6,6a]-3:P[6]-3:	Se[6]-2:Se[6]-2:C-4:	C[6,6a,6a]-3:C[6a]-3:Se[6]-2:	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C)	P[6](Se[6]C[6,6a])2(CC3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6])	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C){1|H<1>,3|C<3>}	P[6](Se[6]C[6,6a])2(CC3){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6]){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	107.9925	0.820	2	107.9925	0.672	2	105.3825	9.312	4	105.3825	9.312	4	105.3825	9.312	4	105.3825	9.312	4
975	14	643	6:SP3_SP2_SP3	Se[6]	P[6]	C[6,6a]	3:3:	2:2:4:	3:3:2:	C[6,6a]-3:P[6]-3:	Se[6]-2:Se[6]-2:C-4:	C[6,6a,6a]-3:C[6a]-3:Se[6]-2:	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C)	P[6](Se[6]C[6,6a])2(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6])	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C){1|H<1>,3|C<3>}	P[6](Se[6]C[6,6a])2(CCCH){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6]){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	102.7725	0.124	2	102.7725	0.015	2	105.3825	9.312	4	105.3825	9.312	4	105.3825	9.312	4	105.3825	9.312	4
975	282	282	6:SP3_SP3_SP3	Se[6]	As[6]	As[6]	3:3:	2:2:2:	2:2:1:	As[6]-3:As[6]-3:	Se[6]-2:Se[6]-2:Se-2:	Se[6]-2:Se[6]-2:Se-1:	Se[6](As[6]Se[6]Se)2	As[6](Se[6]As[6])2(SeAs)	As[6](Se[6]As[6])2(Se)	Se[6](As[6]Se[6]Se)2{1|As<3>}	As[6](Se[6]As[6])2(SeAs){1|Se<1>,2|Se<2>}	As[6](Se[6]As[6])2(Se){3|Se<2>}	101.2909	4.140	2	101.2909	17.136	2	101.2909	17.136	2	101.2909	17.136	2	96.5471	76.079	3	96.5471	76.079	3
975	282	282	6:SP3_SP3_SP3	Se[6]	As[6]	As[6]	3:3:	2:2:2:	2:2:2:	As[6]-3:As[6]-3:	Se[6]-2:Se[6]-2:Se-2:	Se[6]-2:Se[6]-2:Se-2:	Se[6](As[6]Se[6]Se)2	As[6](Se[6]As[6])2(SeAs)	As[6](Se[6]As[6])2(SeAs)	Se[6](As[6]Se[6]Se)2{1|As<3>}	As[6](Se[6]As[6])2(SeAs){1|Se<1>,2|Se<2>}	As[6](Se[6]As[6])2(SeAs){1|Se<1>,2|Se<2>}	87.0595	0.000	1	87.0595	0.000	1	87.0595	0.000	1	87.0595	0.000	1	96.5471	76.079	3	96.5471	76.079	3
975	282	975	6:SP3_SP3_SP3	Se[6]	As[6]	Se[6]	3:2:	2:2:1:	3:2:	As[6]-3:Se[6]-2:	Se[6]-2:Se[6]-2:Se-1:	As[6]-3:Se[6]-2:	Se[6](As[6]Se[6]Se)(Se[6]As[6])	As[6](Se[6]Se[6])2(Se)	Se[6](As[6]Se[6]Se)(Se[6]As[6])	Se[6](As[6]Se[6]Se)(Se[6]As[6]){1|Se<1>,1|Se<2>}	As[6](Se[6]Se[6])2(Se){1|As<3>}	Se[6](As[6]Se[6]Se)(Se[6]As[6]){1|Se<1>,1|Se<2>}	101.0943	2.531	8	101.0943	6.404	8	101.0943	6.404	8	101.0943	6.404	8	101.0943	6.404	8	101.0943	6.404	8
975	466	466	6:SP3_SP3_SP3	Se[6,6]	C[6,6]	C[6,6]	4:4:	2:4:4:1:	2:4:4:1:	C[6,6]-4:C[6,6]-4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	Se[6,6](C[6,6]C[6]2H)2{2|Br<1>,2|C<4>,6|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	90.9075	0.740	3	90.9075	0.547	3	90.7624	0.261	6	90.7624	0.261	6	90.7624	0.261	6	93.6120	14.972	11
975	466	466	6:SP3_SP3_SP3	Se[6,6]	C[6,6]	C[6,6]	4:4:	2:4:4:1:	2:4:4:1:	C[6,6]-4:C[6,6]-4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	Se[6,6](C[6,6]C[6]2H)2{2|Cl<1>,2|C<4>,6|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	90.8487	0.000	1	90.8487	0.000	1	90.7624	0.261	6	90.7624	0.261	6	90.7624	0.261	6	93.6120	14.972	11
975	466	466	6:SP3_SP3_SP3	Se[6,6]	C[6,6]	C[6,6]	4:4:	2:4:4:1:	2:4:4:1:	C[6,6]-4:C[6,6]-4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	Se[6,6](C[6,6]C[6]2H)2{2|C<4>,2|I<1>,6|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	90.5016	0.061	2	90.5016	0.004	2	90.7624	0.261	6	90.7624	0.261	6	90.7624	0.261	6	93.6120	14.972	11
975	466	466	6:SP3_SP3_SP3	Se[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	95.8477	0.172	2	94.8666	2.903	3	94.8666	2.903	3	94.8666	2.903	3	97.0315	10.308	5	93.6120	14.972	11
975	466	466	6:SP3_SP3_SP3	Se[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	92.9042	0.000	1	94.8666	2.903	3	94.8666	2.903	3	94.8666	2.903	3	97.0315	10.308	5	93.6120	14.972	11
975	466	466	6:SP3_SP3_SP3	Se[6]	C[6]	C[6]	4:4:	4:2:4:1:	3:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6a]-3:Se[6]-2:Se[6]-2:H-1:	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H)	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	100.2790	0.523	2	100.2790	0.274	2	100.2790	0.274	2	100.2790	0.274	2	97.0315	10.308	5	93.6120	14.972	11
975	466	762	6:SP3_SP2_SP3	Se[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6,6a]-3:Se[6]-2:H-1:H-1:	S[6]-2:Se[6]-2:C-3:	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC)	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC){2|C<3>,2|H<1>}	97.1556	0.000	1	97.1556	0.000	1	97.1556	0.000	1	97.1556	0.000	1	99.2696	9.679	5	99.2696	9.679	5
975	466	762	6:SP3_SP2_SP3	Se[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6a]-3:Se[6]-2:N[6]-2:	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6])	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	98.8871	0.551	2	98.8871	0.303	2	98.8871	0.303	2	98.8871	0.303	2	99.2696	9.679	5	99.2696	9.679	5
975	466	762	6:SP3_SP2_SP3	Se[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-3:Se[6]-2:S-2:	Se[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi)	Se[6](C[6]C[6]HH)(C[6]C[6]S){1|Se<2>,1|S<2>,2|H<1>}	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]Se[6]S)(Se[6]C[6])(SNi){1|C<4>,2|H<1>}	100.7090	5.432	2	100.7090	29.506	2	100.7090	29.506	2	100.7090	29.506	2	99.2696	9.679	5	99.2696	9.679	5
975	466	818	6:SP3_SP2_SP3	Se[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:Se[6]-2:H-1:H-1:	C[5,6]-3:Se[5]-2:Se[6]-2:	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[5,6](C[5,6]Se[5]Se[6])(Se[5]C[5])(Se[6]C[6])	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){2|Se<2>,1|C<3>,2|H<1>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]Se[6])(Se[5]C[5])(Se[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	96.2074	3.343	4	96.2074	11.178	4	96.2074	11.178	4	96.8852	12.501	56	96.8852	12.501	56	96.8852	12.501	56
975	466	818	6:SP3_SP2_SP3	Se[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:Se[6]-2:H-1:H-1:	C[5,6]-3:Se[6]-2:S[5]-2:	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[5,6](C[5,6]Se[6]S[5])(Se[6]C[6])(S[5]C[5])	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]Se[6]S[5])(Se[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	96.9374	3.576	52	96.9374	12.785	52	96.9374	12.785	52	96.8852	12.501	56	96.8852	12.501	56	96.8852	12.501	56
975	466	849	6:SP3_SP3_SP3	Se[6]	C[6]	P[6]	4:4:	4:3:2:1:	4:3:2:1:	P[6]-4:C[6]-4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	99.5578	0.000	1	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3
975	466	849	6:SP3_SP3_SP3	Se[6]	C[6]	P[6]	4:4:	4:3:2:1:	4:3:2:1:	P[6]-4:C[6]-4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	97.7027	0.901	2	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3	98.3210	1.553	3
975	466	975	6:SP3_SP3_SP3	Se[6]	C[6]	Se[6]	4:2:	4:2:4:1:	4:2:	C[6]-4:Se[6]-2:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:Se[6]-2:	Se[6](C[6]C[6]CH)(Se[6]C[6])	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	Se[6](C[6]C[6]CH)(Se[6]C[6])	Se[6](C[6]C[6]CH)(Se[6]C[6]){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	Se[6](C[6]C[6]CH)(Se[6]C[6]){1|N<3>,2|C<4>,2|H<1>}	95.2947	0.869	2	95.2947	0.755	2	95.2947	0.755	2	95.2947	0.755	2	95.2947	0.755	2	95.2947	0.755	2
975	474	474	6:SP3_SP3_SP3	Se[6,6]	C[5,6,6]	C[5,6,6]	4:4:	4:2:2:4:	4:2:2:1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H){3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	90.5829	0.000	1	90.5829	0.000	1	90.5829	0.000	1	90.5829	0.000	1	90.5829	0.000	1	90.5829	0.000	1
975	474	643	6:SP3_SP2_SP3	Se[6]	C[5,6]	C[6,6a]	3:4:	4:4:2:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:Se[6]-2:	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6])	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	97.1642	0.000	1	97.1642	0.000	1	97.1642	0.000	1	97.1642	0.000	1	94.3590	15.738	2	94.3590	15.738	2
975	474	643	6:SP3_SP2_SP3	Se[6]	C[5,6]	C[6,6a]	4:3:	3:2:2:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6])	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6]){1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	91.5539	0.000	1	91.5539	0.000	1	91.5539	0.000	1	91.5539	0.000	1	94.3590	15.738	2	94.3590	15.738	2
975	474	818	6:SP3_SP2_SP3	Se[6]	C[5,6]	C[5,6]	4:3:	3:2:3:4:	4:2:3:	C[5,6]-4:C[5,6]-3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:Se[6]-2:C[5]-3:	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]){1|Se<2>,3|C<4>,4|C<3>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	96.9883	0.000	1	96.9883	0.000	1	96.9883	0.000	1	96.9883	0.000	1	96.9883	0.000	1	96.9883	0.000	1
975	643	643	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	92.5310	0.000	1	92.5310	0.000	1	94.3176	6.353	3	94.3176	6.353	3	92.7060	14.624	4	92.7060	14.624	4
975	643	643	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	93.2211	0.000	1	95.2109	7.919	2	94.3176	6.353	3	94.3176	6.353	3	92.7060	14.624	4	92.7060	14.624	4
975	643	643	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	97.2007	0.000	1	95.2109	7.919	2	94.3176	6.353	3	94.3176	6.353	3	92.7060	14.624	4	92.7060	14.624	4
975	643	643	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:Se[6]-2:	C[6,6a,6a]-3:C[5a,6a]-3:Se[6]-2:	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a])	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a]){1|O<1>,7|C<3>}	87.8713	0.000	1	87.8713	0.000	1	87.8713	0.000	1	87.8713	0.000	1	92.7060	14.624	4	92.7060	14.624	4
975	643	762	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	Se[6]-2:C[6a]-3:C[6]-3:	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){2|H<1>,4|C<3>}	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	98.1030	0.000	1	98.1030	0.000	1	98.1030	0.000	1	98.9430	1.411	2	99.3280	1.150	3	99.3280	1.150	3
975	643	762	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	Se[6]-2:N[6]-3:C-3:	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	99.7830	0.000	1	99.7830	0.000	1	99.7830	0.000	1	98.9430	1.411	2	99.3280	1.150	3	99.3280	1.150	3
975	643	762	6:SP3_SP2_SP2	Se[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	N[6]-3:Se[6]-2:O-1:	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O){1|O<1>,4|C<3>}	100.0980	0.000	1	100.0980	0.000	1	100.0980	0.000	1	100.0980	0.000	1	99.3280	1.150	3	99.3280	1.150	3
975	643	914	6:SP3_SP2_SP2	Se[6]	C[6,6a]	N[6]	3:2:	3:3:2:	2:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	Se[6]-2:S[6]-2:	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6])	N[6](Se[6]C[6,6a])(S[6]N[6])	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]){1|F<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6]){1|C<3>,1|F<1>,1|H<1>,1|S<2>}	N[6](Se[6]C[6,6a])(S[6]N[6]){2|C<3>}	99.9631	0.183	4	99.9631	0.033	4	99.9631	0.033	4	99.9631	0.033	4	99.9631	0.033	4	99.9631	0.033	4
975	643	975	6:SP3_SP2_SP3	Se[6]	C[6,6a]	Se[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:Se[6]-2:	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6])	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a])	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6]){1|H<1>,4|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a]){1|H<1>,4|C<3>}	92.1975	0.304	7	92.1975	0.092	7	92.1975	0.092	7	92.1975	0.092	7	92.1975	0.092	7	92.1975	0.092	7
975	727	762	6:SP3_SP2_SP2	Se[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Se[6]-2:	Se[6]-2:C[6]-3:H-1:	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6])	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H)	Se[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	98.1360	0.000	1	98.1360	0.000	1	98.1360	0.000	1	98.1360	0.000	1	98.1360	0.000	1	98.1360	0.000	1
975	762	762	6:SP3_SP2_SP2	Se[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:Se[6]-2:Se-2:	Se[6]-2:Se[6]-2:C-3:	Se[6](C[6]C[6]Se)(C[6]Se[6]C)	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe)	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se)	Se[6](C[6]C[6]Se)(C[6]Se[6]C){1|Se<2>,1|C<3>}	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe){1|Se<2>,3|C<3>}	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se){1|Se<2>,1|C<3>}	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	100.5364	14.907	3	100.5364	14.907	3
975	762	762	6:SP3_SP2_SP2	Se[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6]-3:Se[6]-2:C[6]-2:	Se[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	Se[6](C[6]C[6a]C[6])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	98.2420	0.000	1	98.2420	0.000	1	98.2420	0.000	1	98.2420	0.000	1	100.5364	14.907	3	100.5364	14.907	3
975	762	762	6:SP3_SP2_SP2	Se[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6a]-3:C[6]-3:Se[6]-2:	Se[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	Se[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	98.3731	0.000	1	98.3731	0.000	1	98.3731	0.000	1	98.3731	0.000	1	100.5364	14.907	3	100.5364	14.907	3
975	762	818	6:SP3_SP2_SP2	Se[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	Se[6]-2:C[6]-3:H-1:	C[5,6]-3:C[5]-3:Se[6]-2:	Se[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](Se[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6])	Se[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](Se[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	100.1000	0.000	1	100.1000	0.000	1	100.1000	0.000	1	100.1000	0.000	1	100.1000	0.000	1	100.1000	0.000	1
975	762	975	6:SP3_SP2_SP3	Se[6]	C[6]	Se[6]	3:2:	2:2:3:	3:2:	C[6]-3:Se[6]-2:	Se[6]-2:Se[6]-2:C-3:	C[6]-3:Se[6]-2:	Se[6](C[6]Se[6]C)(Se[6]C[6])	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se)	Se[6](C[6]C[6a]C[6])(Se[6]C[6])	Se[6](C[6]Se[6]C)(Se[6]C[6]){2|C<3>}	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se){1|Se<2>,1|C<3>}	Se[6](C[6]C[6a]C[6])(Se[6]C[6]){2|Se<2>,3|C<3>}	98.3588	0.000	1	98.3588	0.000	1	98.3588	0.000	1	98.3588	0.000	1	97.6461	1.016	2	97.6461	1.016	2
975	762	975	6:SP3_SP2_SP3	Se[6]	C[6]	Se[6]	3:2:	3:3:2:	3:2:	C[6]-3:Se[6]-2:	C[6]-3:C[6a]-3:Se[6]-2:	C[6]-3:Se[6]-2:	Se[6](C[6]C[6a]C[6])(Se[6]C[6])	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	Se[6](C[6]Se[6]C)(Se[6]C[6])	Se[6](C[6]C[6a]C[6])(Se[6]C[6]){2|Se<2>,3|C<3>}	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	Se[6](C[6]Se[6]C)(Se[6]C[6]){2|C<3>}	96.9333	0.000	1	96.9333	0.000	1	96.9333	0.000	1	96.9333	0.000	1	97.6461	1.016	2	97.6461	1.016	2
975	818	818	6:SP3_SP2_SP2	Se[6]	C[5,6]	C[5,6]	3:3:	3:2:3:	3:2:3:	C[5,6]-3:C[5,6]-3:	C[5,6]-3:Se[6]-2:C[5]-3:	C[5,6]-3:Se[6]-2:C[5]-3:	Se[6](C[5,6]C[5,6]C[5])2	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O)	Se[6](C[5,6]C[5,6]C[5])2{1|Se<2>,2|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	93.5270	0.000	1	93.5270	0.000	1	93.5270	0.000	1	93.5270	0.000	1	93.5270	0.000	1	93.5270	0.000	1
975	818	975	6:SP3_SP2_SP3	Se[6]	C[5,6]	Se[6]	3:2:	3:2:3:	3:2:	C[5,6]-3:Se[6]-2:	C[5,6]-3:Se[6]-2:N[5]-3:	C[5,6]-3:Se[6]-2:	Se[6](C[5,6]C[5,6]N[5])(Se[6]C[5,6])	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C)	Se[6](C[5,6]C[5,6]N[5])(Se[6]C[5,6])	Se[6](C[5,6]C[5,6]N[5])(Se[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	Se[6](C[5,6]C[5,6]N[5])(Se[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	92.0096	0.789	2	92.0096	0.622	2	92.0096	0.622	2	92.0096	0.622	2	93.5866	3.621	4	93.5866	3.621	4
975	818	975	6:SP3_SP2_SP3	Se[6]	C[5,6]	Se[6]	3:2:	3:3:2:	3:2:	C[5,6]-3:Se[6]-2:	C[5,6a]-3:C[5,6]-3:Se[6]-2:	C[5,6]-3:Se[6]-2:	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6])	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6])	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6]){1|Se<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6]){1|Se<2>,1|H<1>,3|C<3>}	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6]){1|Se<2>,4|C<3>}	95.1636	0.542	2	95.1636	0.294	2	95.1636	0.294	2	95.1636	0.294	2	93.5866	3.621	4	93.5866	3.621	4
975	849	943	6:SP3_SP-NON_SP3	Se[6]	P[6]	Ga[6,6]	4:4:	2:3:3:2:	2:2:2:2:	P[6]-4:Ga[6,6]-4:	Se[6]-2:C[6a]-3:C[6a]-3:N[6]-2:	Se[6]-2:Se[6]-2:Se[6]-2:Se[6]-2:	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6])	Ga[6,6](Se[6]P[6])4	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6]){3|Se<2>,4|H<1>,6|C<3>}	Ga[6,6](Se[6]P[6])4{2|N<2>,8|C<3>}	94.6800	3.462	8	94.6800	11.989	8	94.6800	11.989	8	94.6800	11.989	8	94.6800	11.989	8	94.6800	11.989	8
975	849	975	6:SP3_SP3_SP3	Se[6]	P[6]	Se[6]	4:2:	2:2:1:1:	4:2:	P[6]-4:Se[6]-2:	Se[6]-2:Se[6]-2:Se-1:Se-1:	P[6]-4:Se[6]-2:	Se[6](P[6]Se[6]Se2)(Se[6]P[6])	P[6](Se[6]Se[6])2(Se)2	Se[6](P[6]Se[6]Se2)(Se[6]P[6])	Se[6](P[6]Se[6]Se2)(Se[6]P[6]){1|Se<2>,2|Se<1>}	P[6](Se[6]Se[6])2(Se)2{1|P<4>}	Se[6](P[6]Se[6]Se2)(Se[6]P[6]){1|Se<2>,2|Se<1>}	102.3700	0.798	8	102.3700	0.637	8	102.3700	0.637	8	102.3700	0.637	8	101.3479	5.312	10	101.3479	5.312	10
975	849	975	6:SP3_SP3_SP3	Se[6]	P[6]	Se[6]	4:2:	3:3:2:2:	2:2:	P[6]-4:Se[6]-2:	C[6a]-3:C[6a]-3:Se[6]-2:N[6]-2:	Se[6]-2:Se[6]-2:	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6])	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6])	Se[6](Se[6]P[6])2	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6]){1|P<4>,4|C<3>}	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6]){1|Se<2>,4|H<1>,6|C<3>}	Se[6](Se[6]P[6])2{1|N<2>,4|C<3>}	97.2595	1.247	2	97.2595	1.555	2	97.2595	1.555	2	97.2595	1.555	2	101.3479	5.312	10	101.3479	5.312	10
975	856	856	6:SP3_SP2_SP2	Se[6]	N[6]	N[6]	3:3:	2:2:4:	2:2:4:	N[6]-3:N[6]-3:	Se[6]-2:Se[6]-2:C-4:	Se[6]-2:Se[6]-2:C-4:	Se[6](N[6]Se[6]C)2	N[6](Se[6]N[6])2(CC3)	N[6](Se[6]N[6])2(CC3)	Se[6](N[6]Se[6]C)2{1|N<3>}	N[6](Se[6]N[6])2(CC3){1|Se<2>,2|C<4>}	N[6](Se[6]N[6])2(CC3){1|Se<2>,2|C<4>}	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1
975	943	943	6:SP3_SP-NON_SP-NON	Se[6]	Ga[6]	Ga[6]	4:4:	2:2:3:1:	2:2:3:1:	Ga[6]-4:Ga[6]-4:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Se[6](Ga[6]Se[6]N[6]Br)2	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	Se[6](Ga[6]Se[6]N[6]Br)2{1|Ga<4>,4|C<3>}	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	100.3822	3.407	6	100.3822	11.606	6	100.3822	11.606	6	100.3822	11.606	6	100.3822	11.606	6	100.3822	11.606	6
975	975	975	6:SP3_SP3_SP3	Se[6]	Se[6]	Se[6]	2:2:	4:2:	4:2:	Se[6]-2:Se[6]-2:	P[6]-4:Se[6]-2:	P[6]-4:Se[6]-2:	Se[6](Se[6]P[6])2	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6])	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6])	Se[6](Se[6]P[6])2{1|N<2>,4|C<3>}	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6]){1|P<4>,4|C<3>}	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6]){1|P<4>,4|C<3>}	95.6375	0.000	1	95.6375	0.000	1	95.6375	0.000	1	95.6375	0.000	1	95.6375	0.000	1	95.6375	0.000	1
976	2	474	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	3:4:	4:4:2:	4:2:1:1:	B[5,5]-3:C[5]-4:	C[5]-4:C[5,5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5,5]C[5,5]C[5])(C[5]C[5]HH)	B[5,5](C[5]C[6a]C[5]C)(C[5,5]C[5]2C)(O[5]C[5])	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2	O[5](B[5,5]C[5,5]C[5])(C[5]C[5]HH){2|C<4>,5|C<3>}	B[5,5](C[5]C[6a]C[5]C)(C[5,5]C[5]2C)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2{2|C<4>,5|C<3>}	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[3x5]	4:3:	2:2:4:	4:4:3:2:	C[3x5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	O[5](C[3x5]C[5,6,6]C[3x5]C[5])(B[5]O[5]C)	B[5](O[5]C[3x5])2(CH3)	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	O[5](C[3x5]C[5,6,6]C[3x5]C[5])(B[5]O[5]C){1|C<3>,1|O<2>,5|C<4>}	B[5](O[5]C[3x5])2(CH3){1|C<3>,3|C<4>}	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	108.1545	0.158	2	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[3x5]	4:3:	2:2:4:	4:4:4:2:	C[3x5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[3x5]-4:C[5,6]-4:C[5]-4:O[5]-2:	O[5](C[3x5]C[3x5]C[5,6]C[5])(B[5]O[5]C)	B[5](O[5]C[3x5])2(CH3)	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5])	O[5](C[3x5]C[3x5]C[5,6]C[5])(B[5]O[5]C){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	B[5](O[5]C[3x5])2(CH3){1|C<3>,3|C<4>}	C[3x5](C[3x5]C[5,6,6]C[5]O[5])(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(O[5]B[5]){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.1545	0.158	2	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	2:2:4:	3:4:2:4:	C[5,5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,6a]C[5,5]C)(B[5]O[5]C)	B[5](O[5]C[5,5])2(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	O[5](C[5,5]C[5,6a]C[5,5]C)(B[5]O[5]C){1|C<4>,3|C<3>}	B[5](O[5]C[5,5])2(CC[6a]CH){2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	108.5600	0.205	4	108.5600	0.042	4	108.5600	0.042	4	108.5600	0.042	4	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	3:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	106.2380	0.025	2	106.2380	0.001	2	106.7048	0.423	10	106.7048	0.423	10	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	3:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	107.1870	0.582	4	106.8215	0.466	8	106.7048	0.423	10	106.7048	0.423	10	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	3:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	106.4560	0.627	4	106.8215	0.466	8	106.7048	0.423	10	106.7048	0.423	10	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:2:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.5476	1.537	7	108.5476	2.362	7	108.5476	2.362	7	108.5476	2.362	7	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:3:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	O[5](C[5,5]C[5,5]N[5]H)(B[5]C[6a]O[5]){1|H<1>,1|N<3>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	108.3135	0.153	2	108.3135	0.024	2	108.3135	0.024	2	108.3135	0.024	2	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	109.0820	0.083	2	109.0820	0.007	2	108.3116	0.389	10	108.1144	0.344	17	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	107.8528	0.639	4	108.1190	0.287	8	108.3116	0.389	10	108.1144	0.344	17	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[6a]O[5]){1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	108.3852	0.270	4	108.1190	0.287	8	108.3116	0.389	10	108.1144	0.344	17	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	3:2:2:	4:4:2:1:	C[5,5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5,6]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,5])2	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	O[5](C[5,5]C[5,5]C[5,6]H)(B[5]C[6a]O[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	B[5](C[6a]C[6a]2)(O[5]C[5,5])2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	107.8326	0.420	7	107.8326	0.176	7	107.8326	0.176	7	108.1144	0.344	17	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	4:2:2:	3:4:2:1:	C[5,5]-4:B[5]-3:	C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[5]O[5])	B[5](C[5]C[5]2Fe)(O[5]C[5,5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	O[5](C[5,5]C[5,6a]C[5,5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	B[5](C[5]C[5]2Fe)(O[5]C[5,5])2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	106.4215	0.501	4	106.4215	0.251	4	106.4215	0.251	4	106.4215	0.251	4	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,5]	4:3:	4:2:2:	4:4:2:1:	C[5,5]-4:B[5]-3:	C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[5]O[5])	B[5](C[5]C[5]2Fe)(O[5]C[5,5])2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	B[5](C[5]C[5]2Fe)(O[5]C[5,5])2{1|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	108.9237	0.200	4	108.9237	0.040	4	108.9237	0.040	4	108.9237	0.040	4	107.8557	1.222	48	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:3:	4:4:2:1:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5])	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	108.9840	0.000	1	108.6130	0.275	2	108.6130	0.275	2	108.6130	0.275	2	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:3:	4:4:2:1:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5])	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){1|C<3>,2|C<4>,2|H<1>}	108.2420	0.000	1	108.6130	0.275	2	108.6130	0.275	2	108.6130	0.275	2	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:3:	4:4:2:4:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5])	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	108.8310	0.000	1	108.6995	0.035	2	108.6995	0.035	2	108.6995	0.035	2	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:3:	4:4:2:4:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[6a]-3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5])	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	108.5680	0.000	1	108.6995	0.035	2	108.6995	0.035	2	108.6995	0.035	2	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:1:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C)	B[5](O[5]C[5,6,6])2(CCHN)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]O[5]C){2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(CCHN){1|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.1547	0.353	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:1:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5])	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe){2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	108.4400	0.000	1	108.0763	0.372	6	108.0763	0.372	6	108.1547	0.353	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:1:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5])	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe)	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe){3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(O[5]B[5])(H){2|H<1>,3|C<4>}	108.0036	0.652	5	108.0763	0.372	6	108.0763	0.372	6	108.1547	0.353	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:4:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C)	B[5](O[5]C[5,6,6])2(CCHN)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C){2|H<1>,3|C<4>}	B[5](O[5]C[5,6,6])2(CCHN){1|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	108.2874	0.300	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:4:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[5]-4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5])	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe){2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	108.6100	0.000	1	108.2385	0.340	6	108.2385	0.340	6	108.2874	0.300	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:2:4:	4:4:2:4:	C[5,6,6]-4:B[5]-3:	O[5]-2:O[5]-2:C[5]-4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5])	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	B[5](O[5]C[5,6,6])2(C[5]C[5]2Fe){3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	108.1642	0.619	5	108.2385	0.340	6	108.2385	0.340	6	108.2874	0.300	7	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6,6]	4:3:	2:3:2:	4:4:4:2:	C[5,6,6]-4:B[5]-3:	O[5]-2:C[5]-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O)	B[5](O[5]C[5,6,6])(C[5]C[5,6]C)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5])	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(B[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	B[5](O[5]C[5,6,6])(C[5]C[5,6]C)(OH){1|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[5]B[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	108.3901	0.371	19	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	3:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:2:2:4:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.4960	0.000	1	107.4960	0.000	1	107.8267	0.209	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.6360	0.000	1	107.6360	0.000	1	107.8267	0.209	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]2H)(B[5]C[6a]O[5]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(C[5,6]C[6]O[5]H)(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.3480	0.000	1	108.3480	0.000	1	107.8267	0.209	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	108.0940	0.000	1	108.0940	0.000	1	107.7007	0.474	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]B[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.1020	0.000	1	108.1020	0.000	1	107.7007	0.474	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	3:2:2:	4:4:2:1:	C[5,6]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5,6])2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(B[5]C[6a]O[5]){3|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5,6])2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	106.9060	0.000	1	106.9060	0.000	1	107.7007	0.474	3	107.7637	0.278	6	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	4:2:1:	4:4:2:4:	C[5,6]-4:B[5]-3:	C[5]-4:O[5]-2:O-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(O){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5,6]	4:3:	4:2:2:	4:4:2:4:	C[5,6]-4:B[5]-3:	C[5]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	B[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	109.9665	1.221	2	109.9665	1.491	2	109.9665	1.491	2	109.9665	1.491	2	108.2730	1.245	11	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	3:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]Se[5]C[5])(O[5]C[5])2	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,1|C<4>}	B[5](C[5]Se[5]C[5])(O[5]C[5])2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	O[5](B[5]B[5]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	B[5](B[5]O[5]2)(O[5]C[5])2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	108.0273	0.525	4	108.0273	0.276	4	108.0098	0.179	6	107.8179	0.212	12	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](B[5]B[5]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(O[5]C[5])2{2|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<3>}	107.9750	0.252	2	107.9750	0.063	2	108.0098	0.179	6	107.8179	0.212	12	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]C[6a]O[5])(C[5]C[5]HH)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](B[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<3>}	107.6260	0.447	6	107.6260	0.199	6	107.6260	0.199	6	107.8179	0.212	12	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:3:1:	B[5]-3:C[5]-4:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](B[5]B[5]O[5])(C[5]C[5]CH)	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H)	O[5](B[5]B[5]O[5])(C[5]C[5]CH){1|C<3>,1|H<1>,2|O<2>}	B[5](B[5]O[5]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]B[5])(COO)(H){1|B<3>}	108.2636	0.593	8	108.2636	0.351	8	108.2636	0.351	8	108.2636	0.351	8	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:1:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](B[5]C[5a]O[5])(C[5]C[5]CH)	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	O[5](B[5]C[5a]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	108.2140	0.153	2	108.2140	0.023	2	108.2140	0.023	2	108.2140	0.023	2	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	B[5](B[5]N[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>}	B[5](B[5]N[5]2)(O[5]C[5])2{8|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	108.5320	0.485	4	108.5320	0.235	4	108.3302	0.260	6	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[5]O[5])(C[5]C[5]CC){2|C<4>,2|O<2>}	B[5](B[5]O[5]2)(O[5]C[5])2{6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	107.9265	0.322	2	107.9265	0.104	2	108.3302	0.260	6	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[6a]O[5])(C[5]C[5]CC)	B[5](B[6a]N[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>}	B[5](B[6a]N[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	107.5490	0.392	2	107.5490	0.153	2	107.5490	0.153	2	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5,6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5]C[5,6]2)(O[5]C[5])2{4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.6360	0.252	2	107.6360	0.063	2	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5,6]Se[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,2|C<4>}	B[5](C[5]C[5,6]Se[5])(O[5]C[5])2{2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2215	0.171	4	107.2215	0.029	4	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5,6a]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5]C[5,6a]C[5])(O[5]C[5])2{4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.5865	0.144	2	107.5865	0.021	2	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5]C[5]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5845	0.122	2	107.3230	0.458	6	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5]C[5]2)(O[5]C[5])2{1|Se<2>,1|C<3>,2|B<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.6923	0.462	4	107.3230	0.458	6	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]Se[5]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,2|C<4>}	B[5](C[5]Se[5]C[5])(O[5]C[5])2{1|B<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.7602	0.532	4	106.7097	0.233	6	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]Se[5]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,2|C<4>}	B[5](C[5]Se[5]C[5])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.6085	0.532	2	106.7097	0.233	6	107.1763	0.307	20	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a,6]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	B[5](C[5a]C[5a,6]S[5a])(O[5]C[5])2{1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.7185	0.541	2	107.0117	0.111	6	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a,6]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	B[5](C[5a]C[5a,6]S[5a])(O[5]C[5])2{2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.1582	0.036	4	107.0117	0.111	6	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a,6a]C[5,5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5a]C[5a,6a]C[5,5a])(O[5]C[5])2{4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.1385	0.098	2	107.1385	0.010	2	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a,6a]C[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5a]C[5a,6a]C[5a])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	105.7515	1.473	4	105.7515	2.170	4	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[5a]C[5a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.3045	0.034	4	107.3045	0.001	4	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|C<4>}	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2{1|Br<1>,1|C<3>,1|N<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2805	0.090	2	106.5217	0.550	8	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2{1|Cl<1>,1|C<3>,1|N<2>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.2235	0.080	2	106.5217	0.550	8	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	105.5630	0.317	2	106.5217	0.550	8	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	B[5](C[5a]C[5a]N[5a])(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.0200	0.262	2	106.5217	0.550	8	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]O[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>}	B[5](C[5a]C[5a]O[5a])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.2290	0.382	2	106.2290	0.146	2	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.7265	0.380	4	106.8329	0.316	16	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2{2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.5000	0.591	4	106.8329	0.316	16	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	B[5](C[5a]C[5a]S[5a])(O[5]C[5])2{3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5525	0.339	8	106.8329	0.316	16	106.7269	0.556	42	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2{9|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.9535	0.069	2	106.9535	0.005	2	106.6746	0.340	12	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.0650	0.659	2	107.0650	0.434	2	106.6746	0.340	12	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5072	0.611	8	106.5072	0.374	8	106.6746	0.340	12	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[5,6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[5,6a]2)(O[5]C[5])2{1|Se<2>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	109.0070	0.494	2	109.0070	0.244	2	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2{1|S<2>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	108.8528	0.506	4	108.8528	0.256	4	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4480	0.707	6	107.4480	0.500	6	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.8860	0.687	5	106.8860	0.472	5	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|B<3>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.8568	0.247	8	107.2390	0.655	28	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	108.4560	0.198	2	107.2390	0.655	28	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4839	0.882	14	107.2390	0.655	28	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2{1|O<2>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5375	0.243	4	107.2390	0.655	28	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Bi<5>,1|F<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.7923	0.700	6	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	110.1955	0.507	2	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.7013	1.010	6	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5000	0.095	2	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.3685	0.177	4	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	108.1220	1.158	2	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.9900	0.144	10	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4661	0.741	20	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.9290	0.234	4	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,1|P<4>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	108.3940	0.535	2	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.8316	0.742	40	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2895	0.978	26	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.7005	0.359	4	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|Br<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4910	0.348	2	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.0541	0.853	161	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.3340	0.000	1	107.1213	0.767	292	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|C<4>}	B[5](C[6a]C[6a]N[6a])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2370	0.208	2	107.2370	0.043	2	107.1655	0.787	339	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	B[5](N[6]C[6,6a]C[6])(O[5]C[5])2{2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.8978	0.434	4	105.8978	0.188	4	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.8233	0.371	3	105.8107	0.089	17	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.7435	0.272	2	105.8107	0.089	17	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.1670	0.136	2	105.8107	0.089	17	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](N[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.7491	0.290	10	105.8107	0.089	17	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	B[5](N[6]C[6]N[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	B[5](N[6]C[6]N[6])(O[5]C[5])2{1|B<3>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.9570	0.276	2	105.9570	0.076	2	105.8386	0.096	23	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	N[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]N[6a]O[5])(C[5]C[5]CC)	B[5](N[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]N[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	B[5](N[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.0645	0.115	2	106.0645	0.013	2	106.0645	0.013	2	107.0555	0.806	446	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:4:2:	4:2:4:1:	B[5]-3:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:B-4:H-1:	O[5](B[5]C[6a]C[5])(C[5]C[5]BH)	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	O[5](B[5]C[6a]C[5])(C[5]C[5]BH){1|P<4>,2|C<3>,3|H<1>}	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	B[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]B[5]O[5])(C[5]C[5]HH)	B[5](B[5]C[5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](B[5]B[5]O[5])(C[5]C[5]HH){1|C<3>,2|H<1>,2|O<2>}	B[5](B[5]C[5]O[5]2)(O[5]C[5])2{2|C<4>,2|N<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|B<4>}	109.0815	0.081	2	109.0815	0.007	2	109.0815	0.007	2	107.8142	0.445	19	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]C[5]O[5])(C[5]C[5]HH)	B[5](C[5]B[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](B[5]C[5]O[5])(C[5]C[5]HH){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	B[5](C[5]B[5]C[5]N[5])(O[5]C[5])2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	107.7168	0.630	8	107.7168	0.397	8	107.6651	0.276	17	107.8142	0.445	19	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:1:1:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](B[5]C[5]O[5])(C[5]C[5]HH)	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](B[5]C[5]O[5])(C[5]C[5]HH){1|Fe<10>,2|C<4>,2|H<1>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	107.6191	0.446	9	107.6191	0.199	9	107.6651	0.276	17	107.8142	0.445	19	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:1:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](B[5]C[5]O[5])(C[5]C[5]CH)	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	O[5](B[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,1|H<1>,3|C<4>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{4|C<4>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	108.0078	0.370	8	108.0078	0.137	8	108.0078	0.137	8	108.0078	0.137	8	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[5,5]O[5])(C[5]C[5]CC)	B[5](B[5,5]N[5,5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[5,5]O[5])(C[5]C[5]CC){1|N<4>,2|C<4>,2|O<2>}	B[5](B[5,5]N[5,5]O[5]2)(O[5]C[5])2{1|H<1>,8|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	108.2695	0.636	2	108.2695	0.404	2	108.2695	0.404	2	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	B[5](B[5]C[5]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[5]O[5])(C[5]C[5]CC){1|C<3>,2|C<4>,2|O<2>}	B[5](B[5]C[5]O[5]2)(O[5]C[5])2{2|N<3>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[6a]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[6a]O[5])(C[5]C[5]CC)	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[6a]O[5])(C[5]C[5]CC){1|N<3>,2|C<3>,2|C<4>}	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2{2|N<3>,4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	107.9610	0.119	2	107.9610	0.014	2	107.9610	0.014	2	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3,6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[3]C[3,6]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1750	0.557	2	107.1750	0.310	2	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3]2C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){5|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.8045	0.060	2	106.9002	0.015	4	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3]2C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){5|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{4|C<4>,4|H<1>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9960	0.061	2	106.9002	0.015	4	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{1|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9085	0.227	2	106.6660	0.094	6	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.5447	0.285	4	106.6660	0.094	6	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[3]N[3]C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|N<3>,4|C<4>}	B[5](C[3]C[3]N[3]C)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1670	0.330	2	107.1670	0.109	2	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|C<3>,4|C<4>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{1|Se<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	109.7530	0.000	1	108.2650	1.693	3	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|C<3>,4|C<4>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.5210	0.253	2	108.2650	1.693	3	107.1221	0.606	17	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[4]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[4]O[5])(C[5]C[5]CC)	B[5](C[4]C[4]2C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[4]O[5])(C[5]C[5]CC){5|C<4>}	B[5](C[4]C[4]2C)(O[5]C[5])2{4|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1045	0.104	2	107.1045	0.011	2	106.9776	0.069	16	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[4]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[4]O[5])(C[5]C[5]CC)	B[5](C[4]C[4]2C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[4]O[5])(C[5]C[5]CC){5|C<4>}	B[5](C[4]C[4]2C[6])(O[5]C[5])2{5|H<1>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9805	0.270	12	106.9805	0.073	12	106.9776	0.069	16	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[4]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[4]O[5])(C[5]C[5]CC)	B[5](C[4]C[4]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[4]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[4]C[4]2H)(O[5]C[5])2{1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.8330	0.378	2	106.8330	0.143	2	106.9776	0.069	16	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5,6]O[5])(C[5]C[5]CC)	B[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5,6]O[5])(C[5]C[5]CC){5|C<4>}	B[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])2{2|C<3>,4|H<1>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9195	0.186	2	106.9195	0.035	2	106.9195	0.035	2	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]B[5,5]B[5]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|B<3>,1|B<4>,3|C<4>}	B[5](C[5]B[5,5]B[5]C[5])(O[5]C[5])2{1|C<3>,1|N<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1068	0.345	4	107.1068	0.119	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]B[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|B<3>,1|N<3>,3|C<4>}	B[5](C[5]B[5]C[5]N[5])(O[5]C[5])2{1|C<3>,2|O<2>,8|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.9202	0.866	4	107.9202	0.750	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5,6a]C[5]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	B[5](C[5]C[5,6a]C[5]H)(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.4075	1.009	2	107.0417	0.478	6	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5,6a]C[5]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	B[5](C[5]C[5,6a]C[5]H)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.3588	0.233	4	107.0417	0.478	6	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2Co)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Co<9>,4|C<4>}	B[5](C[5]C[5]2Co)(O[5]C[5])2{1|C<3>,1|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.8310	0.081	2	106.8310	0.006	2	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Fe<10>,4|C<4>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{1|F<1>,1|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	110.1095	0.442	2	109.0020	1.702	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Fe<10>,4|C<4>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{2|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.8945	0.070	2	109.0020	1.702	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[5]C[5]2H)(O[5]C[5])2{1|C<3>,3|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.4290	0.048	2	107.4290	0.002	2	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]N[5]C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|N<3>,4|C<4>}	B[5](C[5]C[5]N[5]C)(O[5]C[5])2{2|C<3>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.2820	0.199	2	107.2820	0.040	2	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[5]N[5]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|N<3>,3|C<4>}	B[5](C[5]C[5]N[5]H)(O[5]C[5])2{1|H<1>,4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	108.0820	0.619	2	108.0820	0.384	2	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[6a]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,3|C<4>}	B[5](C[5]C[6a]C[5]N[5])(O[5]C[5])2{1|H<1>,4|C<3>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.7755	0.029	2	106.9155	0.028	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	B[5](C[5]C[6a]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,3|C<4>}	B[5](C[5]C[6a]C[5]N[5])(O[5]C[5])2{4|C<3>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.0555	0.062	2	106.9155	0.028	4	107.5092	0.871	30	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]B[5]N[6]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,2|C<4>,2|N<3>}	B[5](C[6]B[5]N[6]2)(O[5]C[5])2{2|O<2>,4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1238	0.532	4	107.1238	0.283	4	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[5,6]C[6]C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,4|C<4>}	B[5](C[6]C[5,6]C[6]C)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.0252	0.514	4	107.0252	0.265	4	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[5,6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6]C[5,6]C[6]H)(O[5]C[5])2{2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.6045	0.514	2	107.6045	0.264	2	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6,6]B[6a]C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,4|C<4>}	B[5](C[6]C[6,6]B[6a]C[6])(O[5]C[5])2{2|N<3>,3|H<1>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	108.0405	0.016	2	108.0405	0.000	2	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6,6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[6]C[6,6]C[6]H)(O[5]C[5])2{3|H<1>,7|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.5410	0.047	2	107.5410	0.002	2	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6,6a]B[5]C[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,1|C<3>,3|C<4>}	B[5](C[6]C[6,6a]B[5]C[6])(O[5]C[5])2{2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.6148	0.526	4	106.6148	0.277	4	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6,6a]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	B[5](C[6]C[6,6a]C[6]H)(O[5]C[5])2{1|H<1>,3|C<3>,5|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.9465	0.332	2	107.9465	0.110	2	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[6]C[6]2H)(O[5]C[5])2{1|B<3>,3|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.6935	0.428	4	107.4899	0.556	22	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[6]C[6]2H)(O[5]C[5])2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.6680	0.967	2	107.4899	0.556	22	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[6]C[6]2H)(O[5]C[5])2{1|C<3>,3|H<1>,6|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.3787	0.472	12	107.4899	0.556	22	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]C[6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	B[5](C[6]C[6]2H)(O[5]C[5])2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	108.0310	1.279	4	107.4899	0.556	22	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	4:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	B[5](C[6]N[6]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,2|N<3>}	B[5](C[6]N[6]2H)(O[5]C[5])2{4|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.6605	0.033	2	106.6605	0.001	2	107.3504	0.478	44	107.3417	0.595	114	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	6:2:2:	4:2:4:4:	B[5]-3:C[5]-4:	B[5x3,5x5,20x6]-6:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]B[5x3,5x5,20x6]O[5])(C[5]C[5]CC)	B[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](B[5]B[5x3,5x5,20x6]O[5])(C[5]C[5]CC){2|C<4>,5|B<6>}	B[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(O[5]C[5])2{2|C<6>,3|B<6>,4|C<4>,5|H<1>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<6>}	107.4375	0.104	2	107.4375	0.011	2	107.4375	0.011	2	107.4375	0.011	2	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<2>}	105.8876	0.330	8	105.8876	0.109	8	105.8876	0.109	8	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<2>}	107.7915	0.409	4	107.7915	0.167	4	107.7915	0.167	4	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OB[5])	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OB[5]){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	107.1490	0.033	2	107.1490	0.001	2	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OB[6a])	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OB[6a]){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	106.9595	0.453	2	106.9595	0.205	2	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	106.1078	0.434	30	106.1078	0.188	30	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OCu)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OCu){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	107.3690	0.257	2	107.3690	0.066	2	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OMg)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OMg){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	108.4423	0.557	4	108.4423	0.310	4	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(ORe)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(ORe){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	107.2905	0.209	2	107.2905	0.044	2	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(ORh)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(ORh){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	108.3635	0.264	4	108.3635	0.070	4	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OSi)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OSi){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	106.2733	0.416	4	106.2733	0.173	4	106.6617	0.897	50	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:S-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]S)	B[5](O[5]C[5])2(SC[6a])	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]S){2|C<4>}	B[5](O[5]C[5])2(SC[6a]){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|S<2>}	106.0170	0.495	2	106.0170	0.245	2	106.6440	0.631	4	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:S-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]S)	B[5](O[5]C[5])2(SOs)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]S){2|C<4>}	B[5](O[5]C[5])2(SOs){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|S<2>}	107.2710	0.273	2	107.2710	0.074	2	106.6440	0.631	4	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:Se-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]Se)	B[5](O[5]C[5])2(SeC[6a])	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]Se){2|C<4>}	B[5](O[5]C[5])2(SeC[6a]){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Se<2>}	106.4100	0.728	2	106.4100	0.530	2	106.4100	0.530	2	106.6287	0.860	68	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CB[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CB[5]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.9355	0.347	6	106.9355	0.120	6	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CB[6a]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CB[6a]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.5395	0.777	2	106.5395	0.604	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CBrC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CBrC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.0835	0.110	2	107.0835	0.012	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CCC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.1965	0.566	26	107.1965	0.321	26	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CCH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.1566	0.620	28	107.1566	0.385	28	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCS)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CCS){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	108.8590	0.443	2	108.8590	0.196	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[5]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.3790	0.640	6	107.3790	0.410	6	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[6]H)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[6]H){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4530	0.095	2	107.4530	0.009	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[6]Te)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[6]Te){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2295	0.546	4	107.2295	0.298	4	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[6a]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.3199	0.675	46	107.3199	0.456	46	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CHN)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CHN){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	106.4330	0.140	2	106.4330	0.020	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CRhC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CRhC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.5835	0.118	2	107.5835	0.014	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CSiC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CSiC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.4030	0.396	2	107.4030	0.157	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CTeC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CTeC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2387	0.989	4	107.2387	0.978	4	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CZrC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CZrC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.0425	0.349	2	107.0425	0.122	2	107.2409	0.413	136	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NB[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NB[5]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.8755	0.684	16	106.8755	0.468	16	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NCC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NCC){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.9280	0.812	10	106.9280	0.660	10	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NC[6a]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NC[6a]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.3016	0.688	24	106.3016	0.473	24	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NNP)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NNP){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.7977	0.237	4	105.7977	0.056	4	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NNb[6]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NNb[6]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	107.4000	1.207	4	107.4000	1.456	4	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](O[5]C[5])2(NTiN)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](O[5]C[5])2(NTiN){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	106.5770	0.031	2	106.5770	0.001	2	106.6078	0.643	60	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(OMg2)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(OMg2){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<3>}	107.0650	0.219	2	107.0650	0.048	2	107.2210	0.052	4	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:O-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]O)	B[5](O[5]C[5])2(ORh2)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	B[5](O[5]C[5])2(ORh2){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<3>}	107.3770	0.100	2	107.3770	0.010	2	107.2210	0.052	4	107.0506	0.556	200	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	3:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCHH)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){1|C<4>}	B[5](O[5]C[5])2(CCHH){3|C<4>}	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:1:1:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(B[5]O[5]C)	B[5](O[5]C[5])2(CCHH)	C[5](C[5]O[5]HH)(O[5]B[5])(H)2	O[5](C[5]C[5]HH)(B[5]O[5]C){2|H<1>}	B[5](O[5]C[5])2(CCHH){4|H<1>}	C[5](C[5]O[5]HH)(O[5]B[5])(H)2{1|C<4>}	107.4780	0.355	2	107.4780	0.126	2	107.4780	0.126	2	107.4780	0.126	2	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CBCH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CBCH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.3235	0.062	2	107.3235	0.004	2	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CB[5]2C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CB[5]2C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1108	0.249	6	107.1108	0.062	6	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CB[5]CH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1508	0.461	8	107.1508	0.212	8	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCCH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CCCH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.3979	0.817	22	107.3979	0.667	22	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CCHH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CCHH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.4282	1.102	26	107.4282	1.214	26	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[4]HH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[4]HH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.5635	0.049	2	107.5635	0.002	2	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[5]CH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.6480	0.407	8	106.6480	0.165	8	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[5]HH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[5]HH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.2692	0.704	4	107.2692	0.495	4	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[6]CH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.7237	0.878	8	107.7237	0.771	8	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CC[6]HH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CC[6]HH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	108.0130	0.382	2	108.0130	0.146	2	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CHII)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CHII){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.1490	0.741	2	106.1490	0.549	2	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5])2(CN[5]CH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](O[5]C[5])2(CN[5]CH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.6515	0.120	2	106.6515	0.014	2	107.2958	0.719	92	107.2958	0.719	92	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:3:2:1:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	B[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C)	B[5](O[5]B[5])(O[5]C[5])(CCHH)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C){4|C<3>}	B[5](O[5]B[5])(O[5]C[5])(CCHH){1|H<1>,3|C<3>}	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:	4:4:2:1:	C[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5](C[5]C[5]CH)(B[5]O[5]C)	B[5](O[5]C[5])2(CCCH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	O[5](C[5]C[5]CH)(B[5]O[5]C){1|C<4>,1|H<1>}	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	107.8790	0.377	6	107.8790	0.142	6	107.8790	0.142	6	107.8790	0.142	6	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:2:1:1:	C[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	110.5870	0.000	1	110.3446	0.026	7	110.3446	0.026	7	110.3446	0.026	7	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:2:1:1:	C[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	O[5](C[5]C[5,6a]HH)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	110.3042	0.134	6	110.3446	0.026	7	110.3446	0.026	7	110.3446	0.026	7	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:2:4:1:	C[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:2:4:4:	C[5]-4:B[5]-3:	C[5]-3:O[5]-2:O-2:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]C[5]O)	B[5](C[5]C[6a]C[5])(O[5]C[5])(OH)	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]C[5]O){1|C<2>,1|C<3>}	B[5](C[5]C[6a]C[5])(O[5]C[5])(OH){1|C<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:3:2:1:	C[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	3:4:2:1:	C[5]-4:B[5]-3:	B[5]-3:O[5]-2:O[5]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){2|C<3>,2|H<1>,2|O<2>}	B[5](B[5]O[5]2)(O[5]C[5])2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	108.7665	0.337	4	108.7665	0.113	4	108.7665	0.113	4	108.7665	0.113	4	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[5a]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[5a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.2010	0.199	2	107.2010	0.040	2	107.5940	0.324	10	107.3153	0.629	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	107.6923	0.596	8	107.6923	0.356	8	107.5940	0.324	10	107.3153	0.629	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	N-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](NC[6a]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](NC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	105.9000	0.127	2	105.9000	0.016	2	106.8508	0.890	6	107.3153	0.629	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	N-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]N)	B[5](NC[6a]Rh)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	B[5](NC[6a]Rh)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	107.3263	0.758	4	107.3263	0.574	4	106.8508	0.890	6	107.3153	0.629	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:3:2:1:	C[5]-4:B[5]-3:	B[5]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	B[5](B[5]O[5]2)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){1|H<1>,2|O<2>,3|C<3>}	B[5](B[5]O[5]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	108.2452	0.680	4	108.2452	0.463	4	108.2452	0.463	4	108.1188	0.339	6	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:2:	4:3:2:1:	C[5]-4:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5])	B[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5]){1|H<1>,5|C<3>}	B[5](C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	107.8660	0.338	2	107.8660	0.114	2	107.8660	0.114	2	108.1188	0.339	6	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:3:	4:2:1:1:	C[5]-4:B[5]-3:	C[5]-3:O[5]-2:N-3:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(B[5]C[5]N)	B[5](C[5]C[5]C)(O[5]C[5])(NCC)	C[5](C[5]C[5]HH)(O[5]B[5])(H)2	O[5](C[5]C[5]HH)(B[5]C[5]N){1|C<3>,2|H<1>}	B[5](C[5]C[5]C)(O[5]C[5])(NCC){4|H<1>}	C[5](C[5]C[5]HH)(O[5]B[5])(H)2{1|C<3>,1|N<3>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	C[5]-3:O[5]-2:N-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]C[5]N)	B[5](C[5]C[5]C)(O[5]C[5])(NCC)	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]C[5]N){1|C<3>,2|H<1>}	B[5](C[5]C[5]C)(O[5]C[5])(NCC){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2{1|C<3>,1|N<3>}	113.0405	0.756	2	113.0405	0.571	2	113.0405	0.571	2	111.4820	7.572	3	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:3:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-3:O[5]-2:C-3:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5]Co)(O[5]C[5])(CB[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Co<5>,2|C<4>}	B[5](O[5]C[5]Co)(O[5]C[5])(CB[5]C){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>,1|C<3>}	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	111.4820	7.572	3	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:4:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Li<5>,2|C<4>}	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Li<5>,1|C<4>}	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:4:2:	4:2:4:4:	C[5]-4:B[5]-3:	O[5]-3:C-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5])	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Mg<4>,2|C<4>}	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5]){4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>,1|C<4>}	106.4390	0.000	1	106.4390	0.000	1	106.4390	0.000	1	106.4390	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	B-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]B)	B[5](BC[6a]2N[6])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]B){2|C<4>}	B[5](BC[6a]2N[6])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	108.1675	0.985	2	108.1675	0.970	2	108.1675	0.970	2	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CB[5]C[6]Ru)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CB[5]C[6]Ru)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1557	0.475	4	107.1557	0.225	4	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CB[6a]CH)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.3266	0.730	16	107.3266	0.533	16	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[5a]B[5]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[5a]B[5]H)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1055	0.305	4	107.1055	0.093	4	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]2B[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]2B[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.1600	0.117	2	107.1600	0.014	2	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]2H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]2H)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9695	0.745	2	106.9695	0.554	2	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]B[5]2)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]B[5]2)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9338	0.535	6	106.9338	0.286	6	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]B[5]C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.2742	0.633	8	107.2742	0.401	8	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]B[5]H)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]B[5]H)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9050	0.436	4	106.9050	0.190	4	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]CC)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	106.9635	0.508	6	106.9635	0.258	6	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]CH)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	107.2476	0.515	19	107.2476	0.265	19	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]C)	B[5](CC[6a]HO)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	B[5](CC[6a]HO)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	105.9080	0.656	2	105.9080	0.431	2	107.1404	0.354	73	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	Ge-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]Ge)	B[5](GeC[6a]3)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]Ge){2|C<4>}	B[5](GeC[6a]3)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ge<4>}	107.7725	0.924	4	107.7725	0.854	4	107.7725	0.854	4	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	Si-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]Si)	B[5](SiC[6a]2B[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]Si){2|C<4>}	B[5](SiC[6a]2B[5])(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	108.6907	1.421	4	108.6907	2.019	4	108.8579	1.230	10	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	Si-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]Si)	B[5](SiC[6a]2C)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]Si){2|C<4>}	B[5](SiC[6a]2C)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	107.7465	0.008	2	107.7465	0.000	2	108.8579	1.230	10	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:2:4:4:	C[5]-4:B[5]-3:	Si-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(B[5]O[5]Si)	B[5](SiC[6a]2Si)(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	O[5](C[5]C[5]CC)(B[5]O[5]Si){2|C<4>}	B[5](SiC[6a]2Si)(O[5]C[5])2{4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	109.5807	0.338	4	109.5807	0.114	4	108.8579	1.230	10	107.3849	0.773	89	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:3:2:1:	C[5]-4:B[5]-3:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	107.6653	0.779	14	107.6653	0.606	14	107.6874	0.530	16	107.6874	0.530	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:3:2:1:	C[5]-4:B[5]-3:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	B[5](C[5]C[5]N[5]H)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[5](C[5]C[5]N[5]H)(O[5]C[5])2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	107.8420	0.132	2	107.8420	0.017	2	107.6874	0.530	16	107.6874	0.530	16	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:2:	4:3:3:2:	C[5]-4:B[5]-3:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[6a]2C[5])(B[5]C[5]O[5])	B[5](C[5]C[5]2Fe)(O[5]C[5])2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	O[5](C[5]C[6a]2C[5])(B[5]C[5]O[5]){1|Fe<10>,2|C<4>,6|C<3>}	B[5](C[5]C[5]2Fe)(O[5]C[5])2{1|H<1>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	106.9225	0.354	2	106.9225	0.126	2	106.9225	0.126	2	106.9225	0.126	2	107.2247	0.958	1133	107.2789	1.002	1214
976	2	474	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:2:4:	4:2:3:2:	C[5]-4:B[5]-3:	C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-3:O-2:	O[5](C[5]C[5]CO)(B[5]C[5]C)	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	O[5](C[5]C[5]CO)(B[5]C[5]C){1|Ru<11>,1|B<5>,1|B<6>}	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH){1|B<5>,1|C<3>,1|O<2>}	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	107.2247	0.958	1133	107.2789	1.002	1214
976	2	478	5:SP2_SP2_SP3	O[5]	B[5]	C[4,5]	4:3:	4:2:2:	4:4:2:1:	C[4,5]-4:B[5]-3:	C[5]-4:O[5]-2:O-2:	C[4,5]-4:C[4,6]-4:O[5]-2:H-1:	O[5](C[4,5]C[4,5]C[4,6]H)(B[5]C[5]O)	B[5](C[5]C[4,5]HH)(O[5]C[4,5])(OH)	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4,6]C[4]C[6]2)(O[5]B[5])(H)	O[5](C[4,5]C[4,5]C[4,6]H)(B[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	B[5](C[5]C[4,5]HH)(O[5]C[4,5])(OH){1|C<3>,1|H<1>,2|C<4>}	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4,6]C[4]C[6]2)(O[5]B[5])(H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1
976	2	562	5:SP2_SP2_SP3	O[5]	B[5]	Si[5]	4:3:	3:2:2:	3:2:4:4:	Si[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](Si[5]C[5,6a]CC)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(OH)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	O[5](Si[5]C[5,6a]CC)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(OH){1|F<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|F<1>,1|O<2>,2|C<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1
976	2	638	5:SP2_SP-NON_SP2	O[5]	B[5]	I[5]	3:3:	3:2:2:	3:2:1:	I[5]-3:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:Cl-1:	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl)	O[5](I[5]C[5,6a]Cl)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|Cl<1>,1|F<1>,2|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(Cl){1|H<1>,1|O<2>,2|C<3>}	114.7180	0.304	2	114.7180	0.092	2	114.7180	0.092	2	114.7180	0.092	2	114.8310	0.116	5	114.8310	0.116	5
976	2	638	5:SP2_SP-NON_SP2	O[5]	B[5]	I[5]	3:3:	3:2:2:	3:2:2:	B[5]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:O-2:	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|F<1>,1|O<2>,2|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	115.1310	0.158	2	114.9063	0.164	3	114.9063	0.164	3	114.9063	0.164	3	114.8310	0.116	5	114.8310	0.116	5
976	2	638	5:SP2_SP-NON_SP2	O[5]	B[5]	I[5]	3:3:	3:2:2:	3:2:2:	B[5]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:O-2:	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	O[5](B[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(OH){1|H<1>,1|O<2>,2|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	114.4570	0.000	1	114.9063	0.164	3	114.9063	0.164	3	114.9063	0.164	3	114.8310	0.116	5	114.8310	0.116	5
976	2	679	5:SP2_SP2_SP3	O[5]	B[5]	B[5,5a]	4:3:	3:2:2:	3:3:2:2:	B[5,5a]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5a])(OH)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O){5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5a])(OH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1
976	2	727	5:SP2_SP2_SP2	O[5]	B[5]	C[5,6a]	3:3:	3:2:1:	3:3:2:	C[5,6a]-3:B[5]-3:	O[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]H)	B[5](O[5]C[5,6a]Zr)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	O[5](C[5,6a]C[5,6a]C[6a])(B[5]O[5]H){1|Zr<6>,1|H<1>,2|C<3>}	B[5](O[5]C[5,6a]Zr)(O[5]C[5,6a])(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Zr<6>,1|C<3>,3|H<1>}	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1
976	2	742	5:SP2_SP2_SP3	O[5]	B[5]	B[4,5]	4:3:	3:3:2:	3:4:2:2:	B[4,5]-4:B[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	N[5]-3:C[4]-4:O[4]-2:O[5]-2:	O[5](B[4,5]C[4]N[5]O[4])(B[5]C[6a]C[5])	B[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]B[4,5])	B[4,5](N[5]C[6a]C[5])(C[4]C[4]CC)(O[4]C[4])(O[5]B[5])	O[5](B[4,5]C[4]N[5]O[4])(B[5]C[6a]C[5]){3|C<4>,4|C<3>}	B[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]B[4,5]){1|O<2>,3|C<4>,5|C<3>}	B[4,5](N[5]C[6a]C[5])(C[4]C[4]CC)(O[4]C[4])(O[5]B[5]){2|C<4>,4|C<3>}	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1
976	2	786	5:SP2_SP2_SP3	O[5]	B[5]	B[5,6]	4:3:	3:2:2:	3:3:2:2:	B[5,6]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,6])(OH)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O){5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,6])(OH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	111.4060	0.021	2	111.4060	0.000	2	111.4060	0.000	2	111.4060	0.000	2	111.4060	0.000	2	111.2165	0.769	4
976	2	786	5:SP2_SP2_SP3	O[5]	B[5]	B[5]	4:3:	2:2:4:	4:3:3:2:	B[5]-4:B[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](B[5]C[6a]2C[5])(B[5]O[5]C)	B[5](O[5]B[5])(O[5]C[5])(CCHH)	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5])	O[5](B[5]C[6a]2C[5])(B[5]O[5]C){1|H<1>,5|C<3>}	B[5](O[5]B[5])(O[5]C[5])(CCHH){1|H<1>,3|C<3>}	B[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|F<1>,6|C<3>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	111.0270	2.163	2	111.2165	0.769	4
976	2	786	5:SP2_SP2_SP3	O[5]	B[5]	B[5]	4:3:	3:2:2:	3:2:3:2:	B[5]-4:B[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:O-3:O-2:	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OH){1|F<1>,1|O<2>,1|O<3>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	111.0270	2.163	2	111.2165	0.769	4
976	2	818	5:SP2_SP2_SP2	O[5]	B[5]	C[5]	3:3:	2:2:4:	4:2:4:	B[5]-3:C[5]-3:	O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:	O[5](B[5]O[5]C)(C[5]C[5]C)	B[5](O[5]C[5])2(CCHH)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	O[5](B[5]O[5]C)(C[5]C[5]C){2|C<4>}	B[5](O[5]C[5])2(CCHH){3|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	110.1468	2.599	6	110.1468	2.599	6
976	2	818	5:SP2_SP2_SP2	O[5]	B[5]	C[5]	3:3:	3:2:2:	3:2:1:	B[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:H-1:	O[5](B[5]C[5,6a]O)(C[5]C[5,6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OAl)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	O[5](B[5]C[5,6a]O)(C[5]C[5,6a]H){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OAl){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>}	110.5625	0.493	2	110.5625	0.243	2	110.5625	0.243	2	110.5625	0.243	2	110.1468	2.599	6	110.1468	2.599	6
976	2	818	5:SP2_SP2_SP2	O[5]	B[5]	C[5]	3:3:	3:2:2:	4:2:4:	B[5]-3:C[5]-3:	C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:	O[5](B[5]C[5]O[5])(C[5]C[5]C)	B[5](C[5]Se[5]C[5])(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	O[5](B[5]C[5]O[5])(C[5]C[5]C){1|Se<2>,1|C<3>,2|C<4>}	B[5](C[5]Se[5]C[5])(O[5]C[5])2{1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	110.1468	2.599	6	110.1468	2.599	6
976	2	818	5:SP2_SP2_SP2	O[5]	B[5]	C[5]	3:3:	4:2:4:	3:2:1:	B[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:O-1:	O[5](B[5]C[5]C)(C[5]N[5]O)	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH)	C[5](N[5]C[6a]C[5])(O[5]B[5])(O)	O[5](B[5]C[5]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(O[5]B[5])(O){1|H<1>,2|C<3>,2|C<4>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	110.1468	2.599	6	110.1468	2.599	6
976	2	818	5:SP2_SP2_SP2	O[5]	B[5]	C[5]	3:3:	4:4:2:	3:2:4:	B[5]-3:C[5]-3:	C[5]-4:B[5]-4:O[5]-2:	C[5]-3:O[5]-2:C-4:	O[5](B[5]B[5]C[5])(C[5]C[5]C)	B[5](C[5]C[5]N[5]H)(B[5]C[5]2H)(O[5]C[5])	C[5](C[5]B[5]H)(O[5]B[5])(CH3)	O[5](B[5]B[5]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	B[5](C[5]C[5]N[5]H)(B[5]C[5]2H)(O[5]C[5]){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](C[5]B[5]H)(O[5]B[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	110.1468	2.599	6	110.1468	2.599	6
976	18	727	5:SP2_SP2_SPD6	O[5]	B[5x3,6x5,20x6]	C[5,6a]	6:3:	6:6:6:6:6:2:	3:2:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){1|C<6>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(O[5]C[5,6a]){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.8697	0.342	3	108.8697	0.342	3	108.8697	0.342	3
976	18	727	5:SP2_SP2_SPD6	O[5]	B[5x3,6x5,20x6]	C[5,6a]	6:3:	6:6:6:6:6:2:	3:2:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	B[5x3,6x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|C<3>,4|H<1>,5|B<6>}	B[5x3,6x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(O[5]C[5,6a]){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	108.6620	0.000	1	108.6620	0.000	1	109.0960	0.377	2	108.8697	0.342	3	108.8697	0.342	3	108.8697	0.342	3
976	18	727	5:SP2_SP2_SPD6	O[5]	B[5x3,6x5,20x6]	C[5,6a]	6:3:	6:6:6:6:6:2:	3:2:3:	B[5x3,6x5,20x6]-6:C[5,6a]-3:	C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])	B[5x3,6x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	O[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a]){2|C<3>,5|B<6>,5|H<1>}	B[5x3,6x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(O[5]C[5,6a]){1|B<6>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	109.5300	0.000	1	109.5300	0.000	1	109.0960	0.377	2	108.8697	0.342	3	108.8697	0.342	3	108.8697	0.342	3
976	18	818	5:SP2_SP2_SPD6	O[5]	B[3x3,4x5,12x6]	C[5]	6:3:	6:6:5:5:2:1:	3:2:3:	B[3x3,4x5,12x6]-6:C[5]-3:	B[5x3,3x5,11x6]-6:B[5x3,4x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:O[5]-2:H-1:	N[5]-3:O[5]-2:C[6a]-3:	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5])	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(O[5]C[5])(H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5]){2|C<3>,2|C<5>,3|B<6>,4|H<1>}	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(O[5]C[5])(H){1|B<6>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	111.9370	0.000	1	111.8105	0.032	2	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3
976	18	818	5:SP2_SP2_SPD6	O[5]	B[3x3,4x5,12x6]	C[5]	6:3:	6:6:5:5:2:1:	3:2:3:	B[3x3,4x5,12x6]-6:C[5]-3:	B[5x3,3x5,11x6]-6:B[5x3,4x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:O[5]-2:H-1:	N[5]-3:O[5]-2:C[6a]-3:	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5])	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(O[5]C[5])(H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5]){2|C<3>,2|C<5>,3|B<6>,4|H<1>}	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,12x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)(O[5]C[5])(H){1|B<6>,1|C<3>,6|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	111.6840	0.000	1	111.8105	0.032	2	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3
976	18	818	5:SP2_SP2_SPD6	O[5]	B[3x3,4x5,12x6]	C[5]	6:3:	6:6:5:5:2:1:	3:2:3:	B[3x3,4x5,12x6]-6:C[5]-3:	B[5x3,3x5,11x6]-6:B[5x3,4x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:O[5]-2:H-1:	N[5]-3:O[5]-2:C[6a]-3:	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5])	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H)(O[5]C[5])(H)	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5]){2|C<3>,2|C<5>,3|B<6>,4|H<1>}	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H)(O[5]C[5])(H){1|B<6>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	112.1610	0.000	1	112.1610	0.000	1	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3	111.9273	0.057	3
976	58	474	5:SP3_SP3_SP3	O[5]	S[5,5]	C[5]	3:4:	3:2:2:	3:2:4:4:	S[5,5]-3:C[5]-4:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](S[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	S[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2	O[5](S[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	S[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,5,6]	4:3:	4:2:3:	4:4:2:1:	C[5,5,6]-4:S[5]-3:	C[5]-4:O[5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[6a]C[5])	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[6a]C[5]){2|C<3>,3|C<4>,4|H<1>}	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){1|C<3>,3|C<4>,5|H<1>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,5]	4:3:	2:2:1:	4:3:2:4:	C[5,5]-4:S[5]-3:	O[5]-2:O[5]-2:S-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	S[5](O[5]C[5,5])2(S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3)	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|H<1>,1|S<3>,2|C<4>}	S[5](O[5]C[5,5])2(S){1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3){1|O<1>,1|S<1>,2|H<1>}	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.9537	4.699	6	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,5]	4:3:	2:2:1:	4:4:2:4:	C[5,5]-4:S[5]-3:	O[5]-2:O[5]-2:S-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	S[5](O[5]C[5,5])2(S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	S[5](O[5]C[5,5])2(S){1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|H<1>,1|O<1>,1|S<1>}	113.2720	0.000	1	112.9682	5.872	5	112.9682	5.872	5	112.9682	5.872	5	112.9537	4.699	6	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,5]	4:3:	2:2:1:	4:4:2:4:	C[5,5]-4:S[5]-3:	O[5]-2:O[5]-2:S-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	S[5](O[5]C[5,5])2(S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|S<2>,2|C<4>,2|H<1>}	S[5](O[5]C[5,5])2(S){4|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|S<1>,2|H<1>}	112.8923	2.791	4	112.9682	5.872	5	112.9682	5.872	5	112.9682	5.872	5	112.9537	4.699	6	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,6]	4:3:	2:2:1:	4:4:2:1:	C[5,6]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O)	S[5](O[5]C[4,5,6])(O[5]C[5,6])(O)	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	S[5](O[5]C[4,5,6])(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	113.2580	1.826	2	113.2580	3.333	2	113.2580	3.333	2	111.8042	2.572	12	112.1242	3.690	13	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,6]	4:3:	2:2:1:	4:4:2:1:	C[5,6]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(S[5]O[5]O)	S[5](O[5]C[5,6])2(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H)	O[5](C[5,6]C[5,6]2H)(S[5]O[5]O){2|H<1>,3|C<4>}	S[5](O[5]C[5,6])2(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]S[5])(H){1|O<1>,4|C<4>,4|H<1>}	111.1390	2.072	5	111.1390	4.293	5	111.1390	4.293	5	111.8042	2.572	12	112.1242	3.690	13	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,6]	4:3:	2:2:1:	4:4:2:1:	C[5,6]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O)	S[5](O[5]C[5,6])2(O)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]O){2|C<4>,3|H<1>}	S[5](O[5]C[5,6])2(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|O<1>,2|C<4>,3|H<1>}	111.8878	0.574	5	111.8878	0.329	5	111.8878	0.329	5	111.8042	2.572	12	112.1242	3.690	13	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5,6]	4:3:	2:2:1:	4:4:4:2:	C[5,6]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[3,6,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O)	S[5](O[5]C[5,6])(O[5]C[5])(O)	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5])	O[5](C[5,6]C[3,6,6]C[3,6]C[5])(S[5]O[5]O){2|H<1>,2|O<2>,4|C<4>}	S[5](O[5]C[5,6])(O[5]C[5])(O){2|C<4>,2|H<1>}	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	112.1242	3.690	13	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	2:2:1:	3:3:4:2:	C[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	O[5](C[5]C[6a]2C[5])(S[5]O[5]O)	S[5](O[5]C[5])2(O)	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	O[5](C[5]C[6a]2C[5])(S[5]O[5]O){2|H<1>,4|C<3>}	S[5](O[5]C[5])2(O){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	114.7190	0.000	1	114.7190	0.000	1	114.7190	0.000	1	114.7190	0.000	1	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	2:2:1:	4:2:1:1:	C[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(S[5]O[5]O)	S[5](O[5]C[5,6])(O[5]C[5])(O)	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2	O[5](C[5]C[5,6]HH)(S[5]O[5]O){2|C<4>}	S[5](O[5]C[5,6])(O[5]C[5])(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[3,6,6]C[3,6]O[5])(O[5]S[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	111.6090	18.617	2	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	2:2:1:	4:2:1:1:	C[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(S[5]O[5]O)	S[5](O[5]C[5])2(O)	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2	O[5](C[5]C[5]HH)(S[5]O[5]O){2|C<3>}	S[5](O[5]C[5])2(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2{1|O<1>,4|C<3>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	111.6090	18.617	2	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	2:2:1:	4:3:2:1:	C[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O)	S[5](O[5]C[5])2(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O){1|H<1>,3|C<3>}	S[5](O[5]C[5])2(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	112.1885	2.645	2	112.1885	6.998	2	112.1885	6.998	2	112.1885	6.998	2	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	2:2:2:	4:4:2:1:	C[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-2:	B[5]-4:P-4:O[5]-2:H-1:	O[5](C[5]B[5]HP)(S[5]O[5]O)	S[5](O[5]B[5])(O[5]C[5])(OB)	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H)	O[5](C[5]B[5]HP)(S[5]O[5]O){2|C<3>}	S[5](O[5]B[5])(O[5]C[5])(OB){1|H<1>,1|P<4>,2|C<3>}	C[5](B[5]C[6a]2O[5])(PC[6a]2C)(O[5]S[5])(H){1|O<2>,4|C<3>}	113.3660	1.160	2	113.3660	1.345	2	113.3660	1.345	2	113.3660	1.345	2	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	3:2:1:	3:2:2:1:	C[5]-4:S[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:N-2:H-1:	O[5](C[5]C[5]HN)(S[5]C[5]O)	S[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H)	O[5](C[5]C[5]HN)(S[5]C[5]O){2|C<3>}	S[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]S[5])(NC[6a])(H){1|O<1>,3|C<3>}	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	113.1069	4.956	9	112.6226	3.970	30
976	58	474	5:SP3_SP3_SP3	O[5]	S[5]	C[5]	4:3:	3:2:1:	3:4:2:1:	C[5]-4:S[5]-3:	N[5]-3:O[5]-2:O-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O)	S[5](N[5]C[5]C)(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	S[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	113.1069	4.956	9	112.6226	3.970	30
976	58	478	5:SP3_SP3_SP3	O[5]	S[5]	C[4,5,6]	4:3:	2:2:1:	4:4:3:2:	C[4,5,6]-4:S[5]-3:	O[5]-2:O[5]-2:O-1:	C[4,6]-4:C[5,6]-4:C[4]-3:O[5]-2:	O[5](C[4,5,6]C[4,6]C[5,6]C[4])(S[5]O[5]O)	S[5](O[5]C[4,5,6])(O[5]C[5,6])(O)	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5])	O[5](C[4,5,6]C[4,6]C[5,6]C[4])(S[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	S[5](O[5]C[4,5,6])(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	111.6785	2.367	2	111.6785	5.601	2	111.6785	5.601	2	111.6785	5.601	2	111.6785	5.601	2	111.6785	5.601	2
976	58	786	5:SP3_SP3_SP3	O[5]	S[5]	B[5]	4:3:	2:2:2:	3:3:4:2:	B[5]-4:S[5]-3:	O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	O[5](B[5]C[6a]2C[5])(S[5]O[5]O)	S[5](O[5]B[5])(O[5]C[5])(OB)	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5])	O[5](B[5]C[6a]2C[5])(S[5]O[5]O){1|H<1>,1|P<4>,4|C<3>}	S[5](O[5]B[5])(O[5]C[5])(OB){1|H<1>,1|P<4>,2|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HP)(O[5]S[5]){1|O<2>,4|C<3>,4|F<1>}	113.2340	3.082	2	113.2340	9.496	2	113.2340	9.496	2	113.2340	9.496	2	113.2340	9.496	2	113.2340	9.496	2
976	58	939	5:SP2_SP2_SP3	O[5]	S[5]	Ge[5]	3:3:	3:3:2:	3:2:1:	S[5]-3:Ge[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:Cl-1:	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl)	S[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Ge[5])	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl)	O[5](S[5]C[5,6a]C[6a])(Ge[5]C[5,6a]Cl){4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Ge[5]){1|Cl<1>,3|H<1>,4|C<3>}	Ge[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(Cl){1|S<4>,3|C<3>}	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1
976	58	960	5:SP2_SP2_SP3	O[5]	S[5]	N[5]	3:2:	4:2:1:	3:2:	S[5]-3:N[5]-2:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](S[5]C[5,5]O)(N[5]C[5])	S[5](C[5,5]C[5]3)(O[5]N[5])(O)	N[5](C[5]C[5,5]C[6a])(O[5]S[5])	O[5](S[5]C[5,5]O)(N[5]C[5]){1|C<4>,2|C<3>}	S[5](C[5,5]C[5]3)(O[5]N[5])(O){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(O[5]S[5]){1|C<4>,1|O<1>,3|C<3>}	114.3637	0.241	3	114.3637	0.058	3	114.3637	0.058	3	114.3637	0.058	3	114.3637	0.058	3	114.3637	0.058	3
976	74	474	5:SP3_SP3_SP3	O[5]	N[4,5]	C[5]	4:3:	4:4:2:	4:3:2:1:	C[5]-4:N[4,5]-3:	C[4,5]-4:C[4,5]-4:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2)	N[4,5](C[4,5]C[4,5]C[6a]C[5])(C[4,5]C[4,5]O[5]H)(O[5]C[5])	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[4,5](C[4,5]C[4,5]C[6a]C[5])(C[4,5]C[4,5]O[5]H)(O[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1
976	82	727	5:SP2_SP2_SPD5	O[5]	Ga[3x5]	C[5,6a]	5:3:	4:2:2:4:4:	3:3:2:	Ga[3x5]-5:C[5,6a]-3:	N[5,5]-4:O[5]-2:O[5]-2:N[5]-4:N[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](Ga[3x5]N[5,5]N[5]2O[5])(C[5,6a]C[5,6a]C[6a])	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5])	O[5](Ga[3x5]N[5,5]N[5]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2{2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]Cl)(O[5]Ga[3x5]){1|Cl<1>,1|C<3>,1|O<2>,3|N<4>}	107.8460	0.160	2	107.8460	0.026	2	107.8460	0.026	2	107.8460	0.026	2	107.8460	0.026	2	113.2388	5.809	14
976	82	727	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5,6a]	3:5:	3:3:2:2:1:	3:3:2:	C[5,6a]-3:Ga[5,5]-5:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:Cl-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]Cl)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]Cl){1|Cl<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(Cl){2|C<4>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	114.7450	0.000	1	114.7450	0.000	1	114.7450	0.000	1	114.7450	0.000	1	114.1376	0.693	12	113.2388	5.809	14
976	82	727	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5,6a]	3:5:	3:3:2:2:2:	3:3:2:	C[5,6a]-3:Ga[5,5]-5:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]O)	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]2O[5]O){1|H<1>,6|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(OC[6a]){2|C<4>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	114.5173	0.355	6	114.5173	0.126	6	114.5173	0.126	6	113.9633	0.629	10	114.1376	0.693	12	113.2388	5.809	14
976	82	727	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5,6a]	3:5:	3:3:2:2:2:	3:3:2:	C[5,6a]-3:Ga[5,5]-5:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]N)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]N){1|C<4>,6|C<3>}	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5]C[5,6a])2(NC){8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	113.1322	0.379	4	113.1322	0.144	4	113.1322	0.144	4	113.9633	0.629	10	114.1376	0.693	12	113.2388	5.809	14
976	82	727	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5,6a]	3:5:	3:3:3:2:2:	3:3:2:	C[5,6a]-3:Ga[5,5]-5:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]3O)	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[5,5]N[5,6]3O){1|H<1>,7|C<3>}	Ga[5,5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])(OC[6a]){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	114.1376	0.693	12	113.2388	5.809	14
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[3x5]	C[5]	5:3:	4:4:2:2:2:	4:2:1:	Ga[3x5]-5:C[5]-3:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[3x5]N[5,5]2O[5]O)(C[5]C[5]O)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O)	O[5](Ga[3x5]N[5,5]2O[5]O)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O){1|C<4>,1|H<1>,1|N<4>,2|O<2>}	119.3895	0.952	2	116.5550	11.976	4	116.5550	11.976	4	116.5550	11.976	4	116.5550	11.976	4	117.3793	5.426	11
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[3x5]	C[5]	5:3:	4:4:2:2:2:	4:2:1:	Ga[3x5]-5:C[5]-3:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[3x5]N[5,5]2O[5]O)(C[5]C[5]O)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O)	O[5](Ga[3x5]N[5,5]2O[5]O)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O){1|N<4>,2|C<4>,2|O<2>}	113.7205	1.698	2	116.5550	11.976	4	116.5550	11.976	4	116.5550	11.976	4	116.5550	11.976	4	117.3793	5.426	11
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[4x5]	C[5]	5:3:	4:4:4:2:2:	4:2:1:	Ga[4x5]-5:C[5]-3:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[4x5]N[5,5]3O[5])(C[5]C[5]O)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O)	O[5](Ga[4x5]N[5,5]3O[5])(C[5]C[5]O){1|C<3>,2|H<1>,8|C<4>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O){1|O<2>,2|C<4>,2|N<4>}	118.6995	0.182	2	118.6995	0.033	2	118.6995	0.033	2	118.6995	0.033	2	118.6995	0.033	2	117.3793	5.426	11
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5,6]	5:3:	2:2:2:2:2:	3:2:3:	Ga[5,5]-5:C[5,6]-3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:O-2:	C[5,6]-3:O[5]-2:C[6]-3:	O[5](Ga[5,5]O[5]S[5]2O)(C[5,6]C[5,6]C[6])	Ga[5,5](O[5]C[5,6])2(S[5]C[5,6])2(OC[6])	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C)	O[5](Ga[5,5]O[5]S[5]2O)(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,3|C<3>}	Ga[5,5](O[5]C[5,6])2(S[5]C[5,6])2(OC[6]){4|C<3>}	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	119.2130	1.151	2	119.2130	1.325	2	119.2130	1.325	2	119.2130	1.325	2	119.2130	1.325	2	117.3793	5.426	11
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[5,5]	C[5]	5:3:	4:2:2:3:2:	4:2:1:	Ga[5,5]-5:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:O-3:O-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[5,5]N[5,5]O[5]OO)(C[5]C[5]O)	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC)	C[5](C[5]N[5,5]HH)(O[5]Ga[5,5])(O)	O[5](Ga[5,5]N[5,5]O[5]OO)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]Ga[5,5])(O){1|O<3>,2|C<4>,2|O<2>}	115.9765	0.264	2	115.9765	0.070	2	115.9765	0.070	2	115.9765	0.070	2	115.9765	0.070	2	117.3793	5.426	11
976	82	818	5:SP2_SP2_SPD5	O[5]	Ga[5,6]	C[5]	5:3:	4:2:2:3:2:	4:2:1:	Ga[5,6]-5:C[5]-3:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[5,6]N[5,6]O[6]OO)(C[5]C[5]O)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	C[5](C[5]N[5,6]HH)(O[5]Ga[5,6])(O)	O[5](Ga[5,6]N[5,6]O[6]OO)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(O[5]Ga[5,6])(O){1|O<3>,2|C<4>,2|O<2>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.3793	5.426	11
976	98	474	5:SP3_SP3_SP3	O[5,6]	As[5,6]	C[5,6]	4:3:	2:2:2:	2:4:4:1:	C[5,6]-4:As[5,6]-3:	O[5,6]-2:S[5]-2:S[6]-2:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6])	As[5,6](O[5,6]C[5,6])(S[5]C[5])(S[6]C[6])	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	O[5,6](C[5,6]C[5]C[6]H)(As[5,6]S[5]S[6]){1|C<4>,1|O<2>,3|H<1>}	As[5,6](O[5,6]C[5,6])(S[5]C[5])(S[6]C[6]){1|C<4>,5|H<1>}	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1
976	98	818	5:SP2_SP2_SP2	O[5]	As[5]	C[5]	3:3:	3:2:2:	3:2:1:	As[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](As[5]C[5,6a]O)(C[5]C[5,6a]O)	As[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O)	O[5](As[5]C[5,6a]O)(C[5]C[5,6a]O){2|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O){1|H<1>,1|O<2>,2|C<3>}	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:1:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:2:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	115.9610	0.129	4	115.9610	0.017	4	115.7742	0.063	8	115.7742	0.063	8	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:2:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|H<1>,2|O<2>,3|C<3>}	115.5875	0.192	4	115.5875	0.037	4	115.7742	0.063	8	115.7742	0.063	8	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:4:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5895	1.036	4	117.5895	1.073	4	116.8149	0.721	12	116.8149	0.721	12	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:4:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.7578	0.276	4	116.7578	0.076	4	116.8149	0.721	12	116.8149	0.721	12	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:2:2:4:	3:2:4:4:	As[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.0975	0.063	4	116.0975	0.004	4	116.8149	0.721	12	116.8149	0.721	12	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5,5]	C[5]	5:4:	3:3:3:2:2:	3:2:4:1:	As[5,5]-5:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	C[6a]-3:O[5]-2:C[5]-4:H-1:	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	108.6095	1.194	2	108.6095	1.426	2	108.6095	1.426	2	108.6095	1.426	2	115.7332	5.738	23	115.7755	5.531	24
976	222	474	5:SP3_SP3_SPD5	O[5]	As[5]	C[5]	5:4:	3:3:3:3:2:	3:3:2:4:	As[5]-5:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	115.7755	5.531	24
976	246	474	5:SP3_SP3_SP3	O[5]	P[5]	C[5]	3:4:	3:2:2:	4:2:1:1:	P[5]-3:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](P[5]C[6a]O[5])(C[5]C[5]HH)	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	O[5](P[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	P[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>}	109.8697	1.283	4	109.8697	1.646	4	109.8697	1.646	4	109.8697	1.646	4	112.4660	5.935	14	112.4660	5.935	14
976	246	474	5:SP3_SP3_SP3	O[5]	P[5]	C[5]	3:4:	4:2:2:	4:2:3:1:	P[5]-3:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](P[5]C[5]O[5])(C[5]C[5]CH)	P[5](C[5]C[5]2H)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H)	O[5](P[5]C[5]O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	P[5](C[5]C[5]2H)(O[5]C[5])2{1|P<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]P[5])(COO)(H){1|C<4>}	111.6472	1.803	4	111.6472	3.252	4	111.6472	3.252	4	111.6472	3.252	4	112.4660	5.935	14	112.4660	5.935	14
976	246	474	5:SP3_SP3_SP3	O[5]	P[5]	C[5]	4:3:	2:2:1:	4:3:3:2:	C[5]-4:P[5]-3:	O[5]-2:O[5]-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[6a]2C[5])(P[5]O[5]Cl)	P[5](O[5]C[5])2(Cl)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	O[5](C[5]C[6a]2C[5])(P[5]O[5]Cl){6|C<3>}	P[5](O[5]C[5])2(Cl){4|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	115.1185	1.092	2	115.1185	1.194	2	115.1185	1.194	2	115.1185	1.194	2	112.4660	5.935	14	112.4660	5.935	14
976	246	474	5:SP3_SP3_SP3	O[5]	P[5]	C[5]	4:3:	2:2:3:	4:2:1:1:	C[5]-4:P[5]-3:	O[5]-2:O[5]-2:N-3:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(P[5]O[5]N)	P[5](O[5]C[5])2(NCP)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	O[5](C[5]C[5]HH)(P[5]O[5]N){2|H<1>}	P[5](O[5]C[5])2(NCP){4|H<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<3>}	114.5547	0.182	4	114.5547	0.033	4	114.5547	0.033	4	114.5547	0.033	4	112.4660	5.935	14	112.4660	5.935	14
976	246	727	5:SP2_SP2_SP3	O[5]	P[5]	C[5,6a]	3:3:	2:2:3:	3:3:2:	C[5,6a]-3:P[5]-3:	O[5]-2:O[5]-2:C-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	O[5](C[5,6a]C[6a,6a]C[5,6a])(P[5]O[5]C)	P[5](O[5]C[5,6a])2(CC[6]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5])	O[5](C[5,6a]C[6a,6a]C[5,6a])(P[5]O[5]C){3|C<3>}	P[5](O[5]C[5,6a])2(CC[6]C){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5]){1|H<1>,5|C<3>}	109.4450	0.259	2	109.4450	0.067	2	109.4450	0.067	2	109.4450	0.067	2	109.4450	0.067	2	109.4450	0.067	2
976	334	334	5:SP3_SP1_SP1	O[5]	C[5]	C[5]	2:2:	2:2:	2:2:	C[5]-2:C[5]-2:	C[5]-2:O[5]-2:	C[5]-2:O[5]-2:	O[5](C[5]C[5])2	C[5](C[5]C[5])(O[5]C[5])	C[5](C[5]C[5])(O[5]C[5])	O[5](C[5]C[5])2	C[5](C[5]C[5])(O[5]C[5])	C[5](C[5]C[5])(O[5]C[5])	107.2257	7.376	31	107.2257	54.408	31	107.2257	54.408	31	107.2257	54.408	31	107.3998	51.500	33	107.3998	51.500	33
976	334	334	5:SP3_SP1_SP1	O[5]	C[5]	C[5]	2:2:	2:2:	3:2:	C[5]-2:C[5]-2:	C[5]-2:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5])2	C[5](C[5]C[5])(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[5])2{1|C<3>}	C[5](C[5]C[5])(O[5]C[5]){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])	110.0980	0.528	2	110.0980	0.278	2	110.0980	0.278	2	110.0980	0.278	2	107.3998	51.500	33	107.3998	51.500	33
976	334	474	5:SP3_SP1_SP3	O[5]	C[5]	C[5,5]	4:2:	2:2:	2:2:2:2:	C[5,5]-4:C[5]-2:	O[5]-2:C[5]-2:	C[5]-2:C[5]-2:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5])	C[5,5](C[5]C[5])2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]){2|C<2>}	C[5](O[5]C[5,5])(C[5]C[5]){1|C<2>,1|O<2>}	C[5,5](C[5]C[5])2(O[5]C[5])2	151.1130	0.000	1	151.1130	0.000	1	151.1130	0.000	1	151.1130	0.000	1	151.1130	0.000	1	151.1130	0.000	1
976	334	818	5:SP2_SP1_SP2	O[5]	C[5]	C[5,6]	3:2:	2:2:	3:4:2:	C[5,6]-3:C[5]-2:	O[5]-2:O[5]-2:	C[5,6]-3:C[6]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6])(C[5]O[5])	C[5](O[5]C[5,6])2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](O[5]C[5,6])2{2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	104.3310	1.344	2	104.3310	1.805	2	104.3310	1.805	2	104.3310	1.805	2	104.3310	1.805	2	106.3312	9.777	5
976	334	818	5:SP2_SP1_SP2	O[5]	C[5]	C[5]	3:2:	2:2:	3:2:1:	C[5]-3:C[5]-2:	C[5]-2:O[5]-2:	N[5]-3:O[5]-2:O-1:	O[5](C[5]N[5]O)(C[5]C[5])	C[5](C[5]N[5])(O[5]C[5])	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]N[5]O)(C[5]C[5]){1|C<3>}	C[5](C[5]N[5])(O[5]C[5]){1|C<3>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O)	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	107.6647	11.984	3	106.3312	9.777	5
976	334	818	5:SP2_SP1_SP2	O[5]	C[5]	C[5]	3:2:	3:2:	3:2:1:	C[5]-3:C[5]-2:	C[5]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]H)(C[5]C[5])	C[5](C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]C[6])(O[5]C[5])(H)	O[5](C[5]C[5]H)(C[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>}	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	107.6647	11.984	3	106.3312	9.777	5
976	334	818	5:SP2_SP1_SP2	O[5]	C[5]	C[5]	3:2:	3:2:	4:2:2:	C[5]-3:C[5]-2:	C[5]-3:O[5]-2:	P-4:C[5]-2:O[5]-2:	O[5](C[5]C[5]P)(C[5]C[5])	C[5](C[5]C[5]H)(O[5]C[5])	C[5](PC[5]Ru2)(C[5]C[5])(O[5]C[5])	O[5](C[5]C[5]P)(C[5]C[5]){1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5]){1|P<4>}	C[5](PC[5]Ru2)(C[5]C[5])(O[5]C[5]){1|H<1>}	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	107.6647	11.984	3	106.3312	9.777	5
976	334	955	5:SP3_SP1_SP3	O[5]	C[5]	P[5]	4:2:	3:2:	3:3:2:4:	P[5]-4:C[5]-2:	C[5]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:B-4:	O[5](P[5]C[6a]N[5]B)(C[5]C[5])	C[5](C[5]N[5]C)(O[5]P[5])	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]){1|C<4>,3|C<3>}	C[5](C[5]N[5]C)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){2|H<1>,3|C<3>}	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	112.3950	1.855	2	112.3950	1.855	2
976	334	955	5:SP3_SP1_SP3	O[5]	C[5]	P[5]	4:2:	4:2:	3:3:2:4:	P[5]-4:C[5]-2:	C[5]-4:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:B-4:	O[5](P[5]C[6a]N[5]B)(C[5]C[5])	C[5](C[5]N[5]CH)(O[5]P[5])	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){1|C<4>,2|C<3>,3|H<1>}	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	112.3950	1.855	2	112.3950	1.855	2
976	366	727	5:SP2_SP2_SPD5	O[5]	P[3,5]	C[5,6a]	5:3:	3:3:3:2:2:	3:3:2:	P[3,5]-5:C[5,6a]-3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5])	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3,5]){2|Cl<1>,4|C<3>}	112.2615	0.910	2	112.2615	0.828	2	112.2615	0.828	2	112.2615	0.828	2	112.2615	0.828	2	112.2615	0.828	2
976	386	474	5:SP3_SP-NON_SP3	O[5]	I[4,5]	C[5]	3:4:	3:2:2:	3:2:4:4:	I[4,5]-3:C[5]-4:	C[4,5]-3:O[4]-2:O[5]-2:	C[5]-3:O[5]-2:C-4:C-4:	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC)	I[4,5](C[4,5]C[4]C[5])(O[4]C[4])(O[5]C[5])	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC){1|C<4>,1|H<1>}	I[4,5](C[4,5]C[4]C[5])(O[4]C[4])(O[5]C[5]){1|H<1>,4|C<4>}	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1
976	394	474	5:SP3_SP3_SPD5	O[5,5]	P[3x5,6]	C[5,5,6]	5:4:	2:2:2:2:2:	4:4:2:3:	P[3x5,6]-5:C[5,5,6]-4:	O[5,5]-2:O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](P[3x5,6]O[5,6]2O[5]2)(C[5,5,6]C[5,6]2C[6a])	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	O[5,5](P[3x5,6]O[5,6]2O[5]2)(C[5,5,6]C[5,6]2C[6a]){1|H<1>,3|C<3>,4|C<4>}	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	101.5390	0.000	1	101.5390	0.000	1	101.5390	0.000	1	101.5390	0.000	1	101.8553	0.080	3	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5,5]	P[3x5,6]	C[5,5,6]	5:4:	4:2:2:2:2:	4:2:2:3:	P[3x5,6]-5:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a])	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a]){1|H<1>,3|C<3>,4|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	101.9460	0.000	1	102.0135	0.009	2	102.0135	0.009	2	102.0135	0.009	2	101.8553	0.080	3	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5,5]	P[3x5,6]	C[5,5,6]	5:4:	4:2:2:2:2:	4:2:2:3:	P[3x5,6]-5:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a])	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a]){1|H<1>,3|C<3>,4|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	102.0810	0.000	1	102.0135	0.009	2	102.0135	0.009	2	102.0135	0.009	2	101.8553	0.080	3	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[3x5,6]	C[5]	5:4:	2:2:2:2:2:	2:4:4:4:	P[3x5,6]-5:C[5]-4:	O[5,5]-2:O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:C-4:C-4:	O[5](P[3x5,6]O[5,5]O[5,6]2O[5])(C[5]C[5]CC)	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	O[5](P[3x5,6]O[5,5]O[5,6]2O[5])(C[5]C[5]CC){5|C<4>}	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{3|O<2>}	115.8780	0.226	2	115.8780	0.051	2	115.8780	0.051	2	115.8780	0.051	2	115.0872	1.602	6	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[3x5,6]	C[5]	5:4:	4:2:2:2:2:	2:4:4:1:	P[3x5,6]-5:C[5]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:C-4:H-1:	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH)	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH){1|H<1>,1|O<2>,5|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	114.4655	0.786	2	114.4655	0.617	2	114.4655	0.617	2	114.4655	0.617	2	115.0872	1.602	6	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[3x5,6]	C[5]	5:4:	4:2:2:2:2:	2:4:4:4:	P[3x5,6]-5:C[5]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:C-4:C-4:	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CC)	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CC){1|O<2>,6|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{1|C<4>,2|O<2>}	114.9180	2.294	2	114.9180	5.262	2	114.9180	5.262	2	114.9180	5.262	2	115.0872	1.602	6	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5,5]	C[5]	5:4:	3:3:2:2:1:	3:2:4:4:	P[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(C){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<1>,1|H<1>,1|O<2>,3|C<3>}	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	119.2583	1.178	25	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5,5]	C[5]	5:4:	3:3:2:2:4:	3:2:4:4:	P[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3845	0.819	4	119.3845	0.670	4	119.2762	0.625	6	119.2762	0.625	6	119.2583	1.178	25	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5,5]	C[5]	5:4:	3:3:2:2:4:	3:2:4:4:	P[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CH3){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0595	0.986	2	119.0595	0.973	2	119.2762	0.625	6	119.2762	0.625	6	119.2583	1.178	25	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5,5]	C[5]	5:4:	3:3:3:2:2:	3:2:4:4:	P[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC){1|C<4>,6|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{2|H<1>,6|C<3>,6|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	119.2755	1.043	6	119.2579	1.479	18	119.2579	1.479	18	119.2579	1.479	18	119.2583	1.178	25	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5,5]	C[5]	5:4:	3:3:3:2:2:	3:2:4:4:	P[5,5]-5:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC){1|C<4>,6|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{4|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	119.2491	1.338	12	119.2579	1.479	18	119.2579	1.479	18	119.2579	1.479	18	119.2583	1.178	25	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	4:5:	2:2:2:2:2:	3:4:2:1:	C[5]-4:P[5]-5:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3)	P[5](O[5]C[5])2(OC)3	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3){1|C<4>,3|C<3>}	P[5](O[5]C[5])2(OC)3{1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:2:1:1:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](P[5]O[5]O3)(C[5]C[5]HH)	P[5](O[5]C[5])2(OC[6a])2(OC)	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	O[5](P[5]O[5]O3)(C[5]C[5]HH){1|C<4>,1|H<1>}	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	116.9258	1.486	5	116.9258	2.209	5	116.9603	1.774	6	116.9603	1.774	6	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:2:1:1:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](P[5]O[5]O3)(C[5]C[5]HH)	P[5](O[5]C[5])2(OC[6a])3	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2	O[5](P[5]O[5]O3)(C[5]C[5]HH){1|C<4>,1|H<1>}	P[5](O[5]C[5])2(OC[6a])3{1|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]P[5])(H)2{1|C<4>,1|H<1>,4|O<2>}	117.1330	0.000	1	117.1330	0.000	1	116.9603	1.774	6	116.9603	1.774	6	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:2:4:3:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:O[5]-2:C-4:C-3:	O[5](P[5]O[5]O3)(C[5]C[5]CC)	P[5](O[5]C[5])2(OC)3	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	O[5](P[5]O[5]O3)(C[5]C[5]CC){1|C<3>,1|H<1>}	P[5](O[5]C[5])2(OC)3{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:4:2:1:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](P[5]O[5]O3)(C[5]C[5]2H)	P[5](O[5]C[5])2(OC[6a])2(OC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	O[5](P[5]O[5]O3)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>}	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	115.6660	0.785	4	115.3720	0.894	5	115.2368	0.825	6	115.2368	0.825	6	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:4:2:1:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](P[5]O[5]O3)(C[5]C[5]2H)	P[5](O[5]C[5])2(OC[6a])2(OC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	O[5](P[5]O[5]O3)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>}	P[5](O[5]C[5])2(OC[6a])2(OC){1|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	114.1960	0.000	1	115.3720	0.894	5	115.2368	0.825	6	115.2368	0.825	6	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	2:2:2:2:2:	4:4:2:1:	P[5]-5:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:O-2:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](P[5]O[5]O3)(C[5]C[5]2H)	P[5](O[5]C[5])2(OC[6a])3	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H)	O[5](P[5]O[5]O3)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>}	P[5](O[5]C[5])2(OC[6a])3{1|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]P[5])(H){1|H<1>,2|C<4>,4|O<2>}	114.5610	0.000	1	114.5610	0.000	1	115.2368	0.825	6	115.2368	0.825	6	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	3:3:3:3:2:	3:3:2:1:	P[5]-5:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H){10|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){8|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	118.3000	0.479	2	118.3000	0.230	2	118.3000	0.230	2	118.3000	0.230	2	116.2223	3.269	17	116.7319	18.658	51
976	394	474	5:SP3_SP3_SPD5	O[5]	P[5]	C[5]	5:4:	3:3:3:3:2:	3:3:2:4:	P[5]-5:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	116.2223	3.269	17	116.7319	18.658	51
976	394	474	6:SP3_SP3_SPD5	O[5,6]	P[3x5,6]	C[5,6]	5:4:	2:2:2:2:2:	4:2:3:1:	P[3x5,6]-5:C[5,6]-4:	O[5,5]-2:O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H){3|C<3>,3|C<4>}	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.3702	1.533	4	112.3702	1.533	4
976	394	474	6:SP3_SP3_SPD5	O[5,6]	P[3x5,6]	C[5,6]	5:4:	2:2:2:2:2:	4:2:4:4:	P[3x5,6]-5:C[5,6]-4:	O[5,5]-2:O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]CC)	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]CC){1|C<3>,3|C<4>}	P[3x5,6](O[5,5]C[5,5,6])(O[5,6]C[5,6])2(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2{1|H<1>,3|C<3>,3|O<2>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	112.3702	1.533	4	112.3702	1.533	4
976	394	474	6:SP3_SP3_SPD5	O[5,6]	P[3x5,6]	C[5,6]	5:4:	4:2:2:2:2:	4:2:3:1:	P[3x5,6]-5:C[5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	113.2030	0.000	1	113.1180	0.014	2	113.1180	0.014	2	113.1180	0.014	2	112.3702	1.533	4	112.3702	1.533	4
976	394	474	6:SP3_SP3_SPD5	O[5,6]	P[3x5,6]	C[5,6]	5:4:	4:2:2:2:2:	4:2:3:1:	P[3x5,6]-5:C[5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	P[3x5,6](C[5,6]O[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(O[5]C[5])2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	113.0330	0.000	1	113.1180	0.014	2	113.1180	0.014	2	113.1180	0.014	2	112.3702	1.533	4	112.3702	1.533	4
976	394	727	5:SP2_SP2_SPD5	O[5]	P[3x5]	C[5,6a]	3:5:	4:2:2:2:1:	3:3:2:	C[5,6a]-3:P[3x5]-5:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]C[3x5]O[5]2H)	P[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]C[3x5]O[5]2H){1|H<1>,6|C<3>}	P[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(H){6|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5]){2|O<2>,3|C<3>,3|H<1>}	115.4440	0.162	6	115.4440	0.026	6	115.4440	0.026	6	115.4440	0.026	6	115.4440	0.026	6	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5,6]	C[5,6a]	5:3:	3:3:3:3:2:	3:2:3:	P[5,5,6]-5:C[5,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5,5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](P[5,5,6]C[5,6a]C[6,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H)	O[5](P[5,5,6]C[5,6a]C[6,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a]){1|Cl<1>,1|O<2>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	3:5:	2:2:2:2:3:	3:3:2:	C[5,6a]-3:P[5,5]-5:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5,5]O[5]3C)	P[5,5](O[5]C[5,6a])4(CC[6]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,5]O[5]3C){1|Cl<1>,4|C<3>}	P[5,5](O[5]C[5,6a])4(CC[6]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	111.6005	1.222	4	111.6005	1.492	4	111.6005	1.492	4	111.6005	1.492	4	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:2:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,8|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|F<1>,2|H<1>,2|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	111.3995	0.524	2	111.5515	0.127	4	111.5515	0.127	4	111.8372	1.117	10	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:2:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,8|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|S<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,5]){2|Cl<1>,4|C<3>}	111.7035	0.122	2	111.5515	0.127	4	111.5515	0.127	4	111.8372	1.117	10	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:2:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a])	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a]){9|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|F<1>,2|H<1>,2|S<2>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	112.7435	0.991	4	112.0277	1.826	6	112.0277	1.826	6	111.8372	1.117	10	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:2:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a])	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5])	O[5](P[5,5]C[5,5a]2C[6a]O[5])(C[5,6a]C[6a,6a]C[5,6a]){9|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|S<2>,4|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]P[5,5]){1|H<1>,7|C<3>}	110.5960	0.190	2	112.0277	1.826	6	112.0277	1.826	6	111.8372	1.117	10	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:3:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|Cl<1>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	113.3350	0.000	1	113.1567	0.084	3	113.1567	0.084	3	113.1567	0.084	3	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5,6a]	5:3:	3:3:3:3:2:	3:3:2:	P[5,5]-5:C[5,6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	O[5](P[5,5]C[5,6a]C[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,9|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	113.0675	0.347	2	113.1567	0.084	3	113.1567	0.084	3	113.1567	0.084	3	112.0144	1.226	17	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,6,6]	C[5,6a]	5:3:	3:2:2:3:3:	3:3:2:	P[5,6,6]-5:C[5,6a]-3:	N[6,6]-3:O[5]-2:O[5]-2:N[6]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](P[5,6,6]N[6,6]N[6]2O[5])(C[5,6a]C[5,6a]C[6a])	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6])	O[5](P[5,6,6]N[6,6]N[6]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,1|P<4>,2|C<3>,2|P<3>,3|C<4>}	P[5,6,6](N[6,6]P[6,6]C)(O[5]C[5,6a])2(N[6]P[6]C)2{1|O<1>,2|C<3>,2|N<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6,6]){2|Cl<1>,1|C<3>,3|N<3>}	113.4580	3.038	2	113.4580	9.228	2	113.4580	9.228	2	113.4580	9.228	2	113.4580	9.228	2	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5,6]	C[5,6a]	3:5:	2:2:2:2:3:	3:3:2:	C[5,6a]-3:P[5,6]-5:	O[5]-2:O[5]-2:O[6]-2:O[6]-2:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]O[5]O[6]2N)	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]O[5]O[6]2N){1|Cl<1>,2|C<3>,2|C<4>}	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5,6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	113.2875	2.385	2	113.2875	5.689	2	113.2875	5.689	2	113.2875	5.689	2	113.2875	5.689	2	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5]	C[5,6a]	3:5:	2:2:2:2:2:	3:3:2:	C[5,6a]-3:P[5]-5:	O[5]-2:O[5]-2:O-2:O-2:N-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO)	P[5](O[5]C[5,6a])2(OC[6a])2(NC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO){1|Cl<1>,2|C<3>}	P[5](O[5]C[5,6a])2(OC[6a])2(NC){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<2>,2|O<2>}	113.0005	0.411	2	113.0005	0.169	2	113.0005	0.169	2	113.0005	0.169	2	114.0468	2.433	9	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5]	C[5,6a]	3:5:	2:2:2:2:3:	3:3:2:	C[5,6a]-3:P[5]-5:	O[5]-2:O[5]-2:O-2:O-2:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO)	P[5](O[5]C[5,6a])2(OC[6a])2(NCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO){1|Cl<1>,2|C<3>}	P[5](O[5]C[5,6a])2(OC[6a])2(NCC){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	115.0180	2.397	2	115.0180	5.746	2	114.2370	4.773	4	114.2370	4.773	4	114.0468	2.433	9	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5]	C[5,6a]	3:5:	2:2:2:2:3:	3:3:2:	C[5,6a]-3:P[5]-5:	O[5]-2:O[5]-2:O-2:O-2:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO)	P[5](O[5]C[5,6a])2(OC[6a])2(NHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]NOO){1|Cl<1>,2|C<3>}	P[5](O[5]C[5,6a])2(OC[6a])2(NHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>}	113.4560	2.476	2	113.4560	6.132	2	114.2370	4.773	4	114.2370	4.773	4	114.0468	2.433	9	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5]	C[5,6a]	3:5:	3:2:2:2:2:	3:3:2:	C[5,6a]-3:P[5]-5:	C[6a]-3:O[5]-2:O[5]-2:O-2:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]O[5]OO)	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]O[5]OO){1|Cl<1>,4|C<3>}	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[5]){2|Cl<1>,2|C<3>,2|O<2>}	114.1465	1.159	2	114.1465	1.343	2	114.1465	1.343	2	114.1465	1.343	2	114.0468	2.433	9	113.2580	3.194	37
976	394	727	5:SP2_SP2_SPD5	O[5]	P[5]	C[5,6a]	3:5:	3:3:3:2:1:	3:3:2:	C[5,6a]-3:P[5]-5:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2N[5]H)	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	O[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2N[5]H){1|H<1>,1|P<3>,6|C<3>}	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	114.0468	2.433	9	113.2580	3.194	37
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	2:2:2:2:1:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-2:N[5]-2:O[5]-2:O[5]-2:Cl-1:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O)	P[5,5](N[5]C[5])2(O[5]C[5])2(Cl)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	P[5,5](N[5]C[5])2(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<2>,1|O<2>}	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	115.3640	0.000	1	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:2:2:1:1:	3:2:4:	P[5,5]-5:C[5]-3:	N[5,5]-3:O[5]-2:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:	O[5](P[5,5]N[5,5]O[5]HH)(C[5]C[5]C)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(H)2	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	O[5](P[5,5]N[5,5]O[5]HH)(C[5]C[5]C){1|H<1>,2|C<3>}	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(H)2{2|C<4>,2|H<1>}	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|O<2>,2|H<1>}	112.7640	0.427	2	112.7640	0.182	2	112.7640	0.182	2	112.7640	0.182	2	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:2:2:2:1:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-3:N[5]-2:O[5]-2:O[5]-2:Cl-1:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O)	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>}	115.8380	0.000	1	115.6305	0.086	2	115.6305	0.086	2	115.6305	0.086	2	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:2:2:2:1:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-3:N[5]-2:O[5]-2:O[5]-2:Cl-1:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O)	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	P[5,5](N[5]C[5]H)(N[5]C[5])(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<3>,1|O<2>}	115.4230	0.000	1	115.6305	0.086	2	115.6305	0.086	2	115.6305	0.086	2	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:2:2:3:1:	3:2:4:	P[5,5]-5:C[5]-3:	N[5,5]-3:O[5]-2:O[5]-2:N-3:H-1:	C[5]-3:O[5]-2:C-4:	O[5](P[5,5]N[5,5]O[5]HN)(C[5]C[5]C)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	O[5](P[5,5]N[5,5]O[5]HN)(C[5]C[5]C){1|H<1>,2|C<3>}	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H){2|C<4>,2|H<1>}	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	113.1155	0.746	2	113.1155	0.557	2	113.1155	0.557	2	113.1155	0.557	2	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:2:2:1:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Cl-1:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]Cl)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(Cl){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>}	115.9666	0.154	5	115.9666	0.024	5	115.9666	0.024	5	115.5827	0.244	12	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:2:2:1:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]H)(C[5]C[5]O)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(H){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|N<3>,1|O<2>,2|H<1>}	115.3084	0.470	7	115.3084	0.221	7	115.3084	0.221	7	115.5827	0.244	12	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:2:2:2:	4:2:1:	P[5,5]-5:C[5]-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5]2O[5]O)(C[5]C[5]O)	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5]2O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	P[5,5](N[5]C[5]H)2(O[5]C[5])2(OC){2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|H<1>,1|N<3>,2|O<2>}	115.9892	0.189	4	115.9892	0.036	4	115.9892	0.036	4	115.9892	0.036	4	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:3:2:2:	3:2:1:	P[5,5]-5:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O){7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	116.4535	0.028	2	116.1455	0.101	6	116.1455	0.101	6	116.1455	0.101	6	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:3:2:2:	3:2:1:	P[5,5]-5:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O){7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{2|O<1>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	115.9915	0.269	4	116.1455	0.101	6	116.1455	0.101	6	116.1455	0.101	6	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5,5]	C[5]	5:3:	3:3:3:2:2:	4:2:1:	P[5,5]-5:C[5]-3:	C[6a]-3:N[5,5]-3:P-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](P[5,5]N[5,5]C[6a]O[5]P)(C[5]C[5]O)	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]P[5,5])(O)	O[5](P[5,5]N[5,5]C[6a]O[5]P)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]P[5,5])(O){1|C<3>,1|C<4>,1|O<2>,1|P<3>}	115.9830	0.836	6	115.9830	0.699	6	115.9830	0.699	6	115.9830	0.699	6	115.4887	1.145	35	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:2:2:2:1:	2:2:2:	P[5]-5:C[5]-3:	N[5]-3:O[5]-2:O-2:O-2:Cl-1:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5]ClOO)(C[5]N[5]O)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl)	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5]ClOO)(C[5]N[5]O){1|C<3>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(Cl){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|Cl<1>,1|C<3>,2|O<2>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:2:2:2:2:	2:2:2:	P[5]-5:C[5]-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5]NOO)(C[5]N[5]O)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC)	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5]NOO)(C[5]N[5]O){1|C<3>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NC){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<2>,2|O<2>}	113.9000	0.000	1	113.9000	0.000	1	114.0880	0.071	2	114.0880	0.071	2	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:2:2:2:2:	2:2:2:	P[5]-5:C[5]-3:	N[5]-3:O[5]-2:O-2:O-2:N-2:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5]NOO)(C[5]N[5]O)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN)	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5]NOO)(C[5]N[5]O){1|C<3>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NN){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<2>,2|O<2>}	114.2760	0.000	1	114.2760	0.000	1	114.0880	0.071	2	114.0880	0.071	2	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:2:2:2:3:	2:2:2:	P[5]-5:C[5]-3:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5]NOO)(C[5]N[5]O)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5]NOO)(C[5]N[5]O){1|C<3>}	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	113.7715	0.404	2	113.7715	0.163	2	113.7715	0.163	2	113.7715	0.163	2	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:3:2:2:2:	2:2:2:	P[5]-5:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-2:O[5]-2:O-2:	O[5](P[5]C[6a]N[5]OO)(C[5]N[5]O)	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]C[6a]N[5]OO)(C[5]N[5]O){3|C<3>}	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5])(O[5]P[5])(OC){2|C<3>,2|O<2>}	112.3050	0.205	2	112.3050	0.042	2	112.3050	0.042	2	111.4394	0.703	5	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:3:2:2:2:	2:2:2:	P[5]-5:C[5]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5a]N[5]OO)(C[5]N[5]O)	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5a]N[5]OO)(C[5]N[5]O){3|C<3>}	P[5](N[5a]C[5a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	110.6605	0.170	2	110.6605	0.029	2	110.8623	0.137	3	111.4394	0.703	5	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:3:2:2:2:	2:2:2:	P[5]-5:C[5]-3:	N[5a]-3:N[5]-3:O[5]-2:O-2:O-2:	N[5]-2:O[5]-2:O-2:	O[5](P[5]N[5a]N[5]OO)(C[5]N[5]O)	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[5](N[5]N[5])(O[5]P[5])(OC)	O[5](P[5]N[5a]N[5]OO)(C[5]N[5]O){1|N<2>,2|C<3>}	P[5](N[5a]C[5a]N[5a])(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	111.2660	0.000	1	111.2660	0.000	1	110.8623	0.137	3	111.4394	0.703	5	112.5841	2.556	11	114.7941	3.003	46
976	394	818	5:SP2_SP2_SPD5	O[5]	P[5]	C[5]	5:3:	3:3:3:3:2:	3:2:3:	P[5]-5:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](P[5]C[6a]3C[5])(C[5]C[5]C)	P[5](C[5]C[3]C[5])(C[6a]C[6a]2)3(O[5]C[5])	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH)	O[5](P[5]C[6a]3C[5])(C[5]C[5]C){1|C<4>,7|C<3>}	P[5](C[5]C[3]C[5])(C[6a]C[6a]2)3(O[5]C[5]){2|C<4>,7|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH){1|C<4>,5|C<3>}	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	112.5841	2.556	11	114.7941	3.003	46
976	402	727	5:SP2_SP2_SPD6	O[5]	Ge[3x5]	C[5,6a]	6:3:	3:3:2:2:4:2:	3:3:2:	Ge[3x5]-6:C[5,6a]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5,6a]C[5,6,6a]C[6a])	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5,6a]C[5,6,6a]C[6a]){2|C<4>,2|H<1>,7|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	115.6015	1.378	2	115.6015	1.899	2	115.6015	1.899	2	115.6015	1.899	2	115.6015	1.899	2	115.6015	1.899	2
976	402	818	5:SP2_SP2_SPD6	O[5]	Ge[3x5]	C[5]	3:6:	2:2:2:2:2:2:	3:2:2:	C[5]-3:Ge[3x5]-6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[6a]-3:O[5]-2:N[5]-2:	O[5](C[5]C[6a]N[5])(Ge[3x5]O[5]5)	Ge[3x5](O[5]C[5])3(O[5]N[5])3	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5])	O[5](C[5]C[6a]N[5])(Ge[3x5]O[5]5){2|N<2>,4|C<3>}	Ge[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	110.5153	0.478	3	110.5153	0.229	3	110.5153	0.229	3	110.5153	0.229	3	112.3940	1.947	10	112.3940	1.947	10
976	402	818	5:SP2_SP2_SPD6	O[5]	Ge[3x5]	C[5]	6:3:	2:2:2:2:2:2:	2:3:1:	Ge[3x5]-6:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](Ge[3x5]O[5]5)(C[5]C[5]O)	Ge[3x5](O[5]C[5])6	C[5](O[5]Ge[3x5])(C[5]O[5]O)(O)	O[5](Ge[3x5]O[5]5)(C[5]C[5]O){1|O<1>,4|C<3>}	Ge[3x5](O[5]C[5])6{6|O<1>}	C[5](O[5]Ge[3x5])(C[5]O[5]O)(O){4|O<2>}	113.1082	0.564	6	113.1082	0.318	6	113.1082	0.318	6	113.1082	0.318	6	112.3940	1.947	10	112.3940	1.947	10
976	402	818	5:SP2_SP2_SPD6	O[5]	Ge[3x5]	C[5]	6:3:	3:3:2:2:4:2:	2:4:1:	Ge[3x5]-6:C[5]-3:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:O-1:	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5]C[5]O)	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5])	C[5](O[5]Ge[3x5])(C[5]C[5]HH)(O)	O[5](Ge[3x5]N[5,6]2C[5]O[5]2)(C[5]C[5]O){1|C<4>,3|H<1>,6|C<3>}	Ge[3x5](N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2(C[5]C[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,6|C<3>}	C[5](O[5]Ge[3x5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,2|N<3>,2|O<2>}	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	112.3940	1.947	10	112.3940	1.947	10
976	402	960	5:SP2_SP2_SPD6	O[5]	Ge[3x5]	N[5]	6:2:	2:2:2:2:2:2:	3:2:	Ge[3x5]-6:N[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:	O[5](Ge[3x5]O[5]5)(N[5]C[5])	Ge[3x5](O[5]C[5])3(O[5]N[5])3	N[5](C[5]C[6a]O[5])(O[5]Ge[3x5])	O[5](Ge[3x5]O[5]5)(N[5]C[5]){2|N<2>,3|C<3>}	Ge[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	N[5](C[5]C[6a]O[5])(O[5]Ge[3x5]){2|C<3>,4|O<2>}	112.5927	0.723	3	112.5927	0.523	3	112.5927	0.523	3	112.5927	0.523	3	112.5927	0.523	3	112.5927	0.523	3
976	422	474	5:SP3_SP3_SP3	O[5]	Se[5]	C[5,5]	4:4:	2:2:1:1:	4:2:2:1:	C[5,5]-4:Se[5]-4:	O[5]-2:O[5]-2:O-1:O-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(Se[5]O[5]OO)	Se[5](O[5]C[5,5])2(O)2	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(Se[5]O[5]OO){1|Se<4>,1|H<1>,1|O<2>}	Se[5](O[5]C[5,5])2(O)2{2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(O[5]Se[5])2(H){4|O<1>}	111.6605	1.648	2	111.6605	2.717	2	111.6605	2.717	2	111.6605	2.717	2	111.6605	2.717	2	109.9592	5.351	4
976	422	474	5:SP3_SP3_SP3	O[5]	Se[5]	C[5]	4:4:	2:2:1:1:	4:2:1:1:	Se[5]-4:C[5]-4:	O[5]-2:O[5]-2:O-1:O-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](Se[5]O[5]OO)(C[5]C[5]HH)	Se[5](O[5]C[5])2(O)2	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2	O[5](Se[5]O[5]OO)(C[5]C[5]HH){2|H<1>}	Se[5](O[5]C[5])2(O)2{4|H<1>}	C[5](C[5]O[5]HH)(O[5]Se[5])(H)2{2|O<1>}	108.2580	1.327	2	108.2580	1.760	2	108.2580	1.760	2	108.2580	1.760	2	108.2580	1.760	2	109.9592	5.351	4
976	422	818	5:SP2_SP2_SP3	O[5]	Se[5,5]	C[5]	4:3:	3:3:2:2:	3:2:1:	Se[5,5]-4:C[5]-3:	C[5,5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](Se[5,5]C[5,5,6a]C[6a]O[5])(C[5]C[5,6a]O)	Se[5,5](C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O)	O[5](Se[5,5]C[5,5,6a]C[6a]O[5])(C[5]C[5,6a]O){5|C<3>}	Se[5,5](C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)(O[5]C[5])2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	114.9715	0.196	2	114.9715	0.038	2	114.9715	0.038	2	114.3423	1.207	3	114.3423	1.207	3	114.3423	1.207	3
976	422	818	5:SP2_SP2_SP3	O[5]	Se[5,5]	C[5]	4:3:	3:3:2:2:	3:2:1:	Se[5,5]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:O[5]-2:O[5]-2:	C[5,6]-3:O[5]-2:O-1:	O[5](Se[5,5]C[5,6]2O[5])(C[5]C[5,6]O)	Se[5,5](C[5,6]C[5,6]C[6])2(O[5]C[5])2	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O)	O[5](Se[5,5]C[5,6]2O[5])(C[5]C[5,6]O){2|C<3>,3|C<4>}	Se[5,5](C[5,6]C[5,6]C[6])2(O[5]C[5])2{2|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]Se[5,5])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	114.3423	1.207	3	114.3423	1.207	3	114.3423	1.207	3
976	434	474	5:SP3_SP3_SP3	O[5]	Se[4,5]	C[5]	4:4:	3:4:3:2:	3:2:4:4:	Se[4,5]-4:C[5]-4:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](Se[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC)	Se[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2	O[5](Se[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	Se[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5]){1|H<1>,4|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1
976	442	818	5:SP2_SP2_SPD5	O[5]	B[3x3,4x5,12x6]	C[5]	5:3:	6:6:6:5:2:	3:2:3:	B[3x3,4x5,12x6]-5:C[5]-3:	B[5x3,3x5,11x6]-6:B[5x3,4x5,11x6]-6:B[3x3,3x5,12x6]-6:C[3x3,3x5,13x6]-5:O[5]-2:	N[5]-3:O[5]-2:C[6a]-3:	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6])(C[5]C[6a]N[5])	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]HH)(C[3x3,3x5,13x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6])(O[5]C[5])	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6])(C[5]C[6a]N[5]){1|B<5>,1|C<4>,1|C<5>,2|C<3>,3|B<6>,4|H<1>}	B[3x3,4x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]N[5])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]HH)(C[3x3,3x5,13x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]C[6])(O[5]C[5]){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,4|B<6>}	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:3:4:2:	4:2:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C)	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO)	O[5,5](C[3x5,6,6]C[3,5,6]C[5,6,6]N[5,5,6])(C[5,5,6]C[5,6]2C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	94.4340	0.000	1	94.4340	0.000	1	94.4340	0.000	1	94.4340	0.000	1	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	3:2:3:4:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[3x5,6,6](C[5,5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5]O[5]HH){2|H<1>,3|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	98.5276	0.000	1	98.5276	0.000	1	98.5276	0.000	1	98.5276	0.000	1	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:4:2:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]CH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	95.4204	0.337	2	95.4204	0.114	2	95.5109	0.049	12	95.5109	0.049	12	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:4:2:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	95.7000	0.190	2	95.5936	0.061	5	95.5109	0.049	12	95.5109	0.049	12	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:4:2:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	95.5227	0.292	3	95.5936	0.061	5	95.5109	0.049	12	95.5109	0.049	12	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:4:2:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HO)(O[5,5]C[3x5,6,6])(COO){1|N<3>,2|C<3>,4|C<4>}	95.4235	0.171	4	95.4235	0.029	4	95.5109	0.049	12	95.5109	0.049	12	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:4:2:3:	C[3x5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO)	O[5,5](C[3x5,6,6]C[3x5,6]C[5,6,6]N[5,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(COO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	95.6277	0.000	1	95.6277	0.000	1	95.5109	0.049	12	95.5109	0.049	12	95.6494	0.810	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[3x5,6]	4:4:	4:4:2:3:	4:4:2:2:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-3:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO){1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	96.4705	0.000	1	96.4705	0.000	1	96.4705	0.000	1	96.4705	0.000	1	96.9321	1.571	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[3x5,6]	4:4:	4:4:2:4:	4:4:2:2:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3){1|O<2>,3|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	95.9751	0.000	1	95.9751	0.000	1	95.9751	0.000	1	95.9751	0.000	1	96.9321	1.571	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[3x5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2{4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	98.3506	0.000	1	98.3506	0.000	1	98.3506	0.000	1	98.3506	0.000	1	96.9321	1.571	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6,6]	4:4:	4:4:2:4:	4:2:2:3:	C[5,5,6,6]-4:C[3x5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C){1|C<3>,2|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	95.9858	0.417	2	95.9858	0.174	2	95.9858	0.174	2	95.9858	0.174	2	95.9858	0.174	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	3:4:2:4:	3:4:2:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[3x5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5,6]C[5,6,6a]C[5,6]C)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	O[5,5](C[3x5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5,6]C[5,6,6a]C[5,6]C){2|C<3>,2|C<4>,5|H<1>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	96.7859	0.235	2	96.7859	0.055	2	96.7859	0.055	2	96.7859	0.055	2	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:3:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH)	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H){3|C<3>,4|C<4>}	96.7679	0.000	1	96.7679	0.000	1	96.7679	0.000	1	96.7679	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	3:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.5585	0.000	1	95.5585	0.000	1	95.5538	0.023	4	95.5538	0.023	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	3:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.4880	0.000	1	95.4880	0.000	1	95.5538	0.023	4	95.5538	0.023	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	3:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	95.5844	0.252	2	95.5844	0.063	2	95.5538	0.023	4	95.5538	0.023	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H)	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[3x5,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	95.5005	0.000	1	95.5005	0.000	1	95.5005	0.000	1	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5,5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,3|C<4>}	95.6089	0.000	1	95.6089	0.000	1	95.6089	0.000	1	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6,6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	95.4755	0.000	1	95.4755	0.000	1	95.4755	0.000	1	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	95.3597	0.416	2	95.3597	0.173	2	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	95.1303	0.000	1	95.1303	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|S<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	95.9787	0.000	1	95.9787	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]O[5]HH){1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	95.3524	0.000	1	95.3524	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	96.0734	0.000	1	96.0734	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){2|O<1>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	95.3779	0.000	1	95.3779	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	96.0675	0.006	2	96.0426	0.036	4	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	96.0178	0.327	2	96.0426	0.036	4	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,2|C<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	95.6075	0.423	8	95.6075	0.179	8	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|P<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HP){1|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.2044	0.543	2	95.2044	0.295	2	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|S<2>,2|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]CH){6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.8892	0.000	1	95.8892	0.000	1	95.6346	0.181	22	95.6218	0.160	25	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	96.2496	0.623	2	96.2496	0.388	2	96.1579	0.419	6	96.1579	0.419	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	96.6846	0.549	2	96.6846	0.301	2	96.1579	0.419	6	96.1579	0.419	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|C<4>,1|N<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	95.5396	0.258	2	95.5396	0.067	2	96.1579	0.419	6	96.1579	0.419	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	94.7489	0.000	1	94.7489	0.000	1	94.7489	0.000	1	94.7489	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6,6]C[5,6]H){2|C<4>,3|H<1>,3|O<2>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5]O)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	96.7139	0.000	1	96.7139	0.000	1	96.7139	0.000	1	97.2144	0.151	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){2|C<3>,2|O<2>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	97.0991	0.000	1	97.0991	0.000	1	97.3812	0.060	3	97.2144	0.151	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|I<1>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|I<1>,1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HI)(O[5,5]C[3x5,6])(H){1|C<3>,1|O<2>,3|H<1>}	97.5194	0.000	1	97.5194	0.000	1	97.3812	0.060	3	97.2144	0.151	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	C[3x5,6](C[5,5,6]C[5,6]C[5]O)(C[5,5,6]C[5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|O<1>,1|S<2>,2|F<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	97.5251	0.000	1	97.5251	0.000	1	97.3812	0.060	3	97.2144	0.151	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	3:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|S<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	95.9387	0.000	1	95.9387	0.000	1	95.9387	0.000	1	95.9387	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	3:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:N[5]-3:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C)	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H){1|C<4>,4|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C){3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	95.9489	0.000	1	95.9489	0.000	1	95.9489	0.000	1	95.9489	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	95.8529	0.271	2	95.8529	0.073	2	95.8529	0.073	2	95.4545	0.205	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.4630	0.000	1	95.4630	0.000	1	95.0654	0.316	2	95.4545	0.205	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	94.6678	0.000	1	94.6678	0.000	1	95.0654	0.316	2	95.4545	0.205	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	95.4453	0.122	2	95.4453	0.015	2	95.4453	0.015	2	95.4545	0.205	6	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	96.8345	0.000	1	96.8345	0.000	1	96.8345	0.000	1	96.8345	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO)	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6]2C[6])(C[5,5,6]C[5,6]C[5]O)(O[5,5]C[5,5,6])(COO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,5,6]CC)(O[5,5]C[3x5,6])(H){1|C<4>,1|O<2>,3|C<3>}	95.9954	0.000	1	95.9954	0.000	1	95.9954	0.000	1	95.9954	0.000	1	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5]N[5]HH)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|C<3>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Cl<1>,1|H<1>,2|C<4>}	96.8684	0.000	1	96.8684	0.000	1	96.8684	0.000	1	96.1110	0.405	8	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){2|Br<1>,1|C<3>,1|N<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]BrH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|Br<1>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	96.2696	0.146	2	96.2696	0.021	2	96.0028	0.364	7	96.1110	0.405	8	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	96.3551	0.089	3	95.9615	0.625	4	96.0028	0.364	7	96.1110	0.405	8	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH)	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|N<3>,3|C<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	94.7806	0.000	1	95.9615	0.625	4	96.0028	0.364	7	96.1110	0.405	8	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH)	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5]N[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	95.6344	0.000	1	95.6344	0.000	1	96.0028	0.364	7	96.1110	0.405	8	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[3x5,6]	C[5,5,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5,5,6]C[5,6]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[3x5,6])(H){1|C<3>,1|C<4>,3|H<1>}	96.2144	0.173	4	96.2144	0.030	4	96.2144	0.030	4	96.2144	0.030	4	95.9207	0.416	65	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,3x6]	C[5,5,6]	4:4:	4:3:2:3:	4:2:3:3:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	96.1985	0.000	1	96.1985	0.000	1	96.1985	0.000	1	96.1985	0.000	1	96.6741	2.257	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,3x6]	C[5,5,6]	4:4:	4:3:2:4:	4:2:3:3:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO)	O[5,5](C[5,5,3x6]C[5,5,6,6]N[5,6,6]C[6,6])(C[5,5,6]C[5,5,6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO){1|S<4>,2|C<3>,3|C<4>}	96.7748	0.000	1	96.7748	0.000	1	96.7748	0.000	1	96.7748	0.000	1	96.6741	2.257	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,3x6]	C[5,5,6]	4:4:	4:4:2:2:	2:3:3:4:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C)	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C){1|C<3>,2|O<1>,4|C<4>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	98.6594	0.000	1	98.6594	0.000	1	98.6594	0.000	1	98.6594	0.000	1	96.6741	2.257	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,3x6]	C[5,5,6]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[3x6]-4:O[5,5]-2:O[5,6]-2:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H)	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H)	O[5,5](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,6])(C[5,5,6]C[5,6]2H){1|O<2>,3|H<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6]){2|O<2>,5|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,3x6]HH)(O[5,5]C[5,5,3x6])(C[5,6]O[5,6]CC)(H){1|O<2>,2|C<4>}	95.0636	0.000	1	95.0636	0.000	1	95.0636	0.000	1	95.0636	0.000	1	96.6741	2.257	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6,6]	4:4:	4:2:4:4:	3:4:2:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[5,6]-4:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,6]2){2|Cl<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH){1|C<3>,5|H<1>,6|C<4>}	96.5600	0.000	1	96.5600	0.000	1	96.5600	0.000	1	96.5600	0.000	1	96.9060	0.239	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])2{1|F<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	97.2519	0.000	1	97.2519	0.000	1	97.2519	0.000	1	97.2519	0.000	1	96.9060	0.239	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	3:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|N<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	95.4587	0.000	1	95.4587	0.000	1	95.2266	0.057	3	95.2266	0.057	3	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	3:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|N<3>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	95.1105	0.181	2	95.1105	0.033	2	95.2266	0.057	3	95.2266	0.057	3	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	3:4:2:4:	2:3:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-3:C[5,6]-4:O[5,5]-2:C[6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[6]C[6,6]HH){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	95.6908	0.000	1	95.6908	0.000	1	95.6908	0.000	1	95.6908	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	3:4:3:2:	4:3:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	97.3435	0.000	1	97.3435	0.000	1	97.3435	0.000	1	97.3435	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H)	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]O)(H){2|C<3>,5|C<4>}	95.9854	0.000	1	95.9854	0.000	1	95.9854	0.000	1	95.9854	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6])	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	95.7070	0.000	1	95.7070	0.000	1	95.7070	0.000	1	95.7070	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H)	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2H){1|S<4>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]O[5,6]HH)(H){1|S<4>,2|C<4>}	96.0764	0.000	1	96.0764	0.000	1	96.0764	0.000	1	96.0764	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	2:3:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	95.9144	0.000	1	95.9144	0.000	1	95.9144	0.000	1	95.9144	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	96.7216	0.137	4	96.9594	0.072	12	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	97.0847	0.278	6	96.9594	0.072	12	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	97.0590	0.058	2	96.9594	0.072	12	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	96.4918	0.000	1	96.8246	0.124	4	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	96.7495	0.000	1	96.8246	0.124	4	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	97.0285	0.416	2	96.8246	0.124	4	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	97.5287	0.000	1	97.5287	0.000	1	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	95.9381	0.000	1	96.2485	0.031	6	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	96.2142	0.002	2	96.2485	0.031	6	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	96.3748	0.065	3	96.2485	0.031	6	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|O<2>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]O[6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	96.7829	1.114	3	96.7829	1.241	3	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|S<2>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]S[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	96.3997	0.000	1	96.3997	0.000	1	96.7622	0.253	27	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	95.6003	0.000	1	95.6003	0.000	1	95.8388	0.095	3	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	95.7293	0.000	1	95.7293	0.000	1	95.8388	0.095	3	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){1|C<4>,1|S<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]S[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HH){1|O<2>,2|O<1>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|S<4>,2|H<1>}	96.1869	0.000	1	96.1869	0.000	1	95.8388	0.095	3	96.6698	0.313	30	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:3:2:3:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	96.6321	0.007	2	96.6321	0.000	2	96.4190	0.136	3	96.4190	0.136	3	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:3:2:3:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	95.9928	0.000	1	95.9928	0.000	1	96.4190	0.136	3	96.4190	0.136	3	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H){2|H<1>,6|C<3>}	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	96.6904	0.000	1	96.6904	0.000	1	96.6904	0.000	1	96.6904	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:2:4:	C[5,5,6]-4:C[5,5,6,6]-4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	96.0249	0.295	2	96.0249	0.087	2	96.0249	0.087	2	96.0249	0.087	2	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	96.7055	0.000	1	96.7055	0.000	1	96.3852	0.205	2	96.3852	0.205	2	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){1|N<3>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	96.0650	0.000	1	96.0650	0.000	1	96.3852	0.205	2	96.3852	0.205	2	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H){2|C<4>,9|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]HH){1|C<3>,1|O<2>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	96.3832	0.000	1	96.3832	0.000	1	96.3832	0.000	1	96.3832	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:4:3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a]){1|S<4>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6]C[6]CC){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	97.8327	0.000	1	97.8327	0.000	1	97.8327	0.000	1	97.8327	0.000	1	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[3,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[3,5,6]C[5,6,6]C[6])(C[5,5,6]C[3,5,6]C[5,6]H){2|C<4>,2|O<2>,6|H<1>}	C[5,5,6,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[6]O[6]CH){1|C<4>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){2|C<4>,2|H<1>}	96.6465	0.005	2	96.6465	0.000	2	96.6465	0.000	2	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	97.0816	0.112	2	97.0816	0.013	2	97.1785	0.018	5	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	97.2398	0.172	2	97.2431	0.015	3	97.1785	0.018	5	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6,6]C[5,5,6]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]O[6]HH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	97.2496	0.000	1	97.2431	0.015	3	97.1785	0.018	5	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,5,6]C[5,5,6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	96.7033	0.000	1	96.7033	0.000	1	96.7033	0.000	1	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]2C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|H<1>,1|O<2>,4|C<4>}	96.7119	0.048	2	96.7119	0.002	2	96.8641	0.054	4	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	97.1977	0.000	1	97.0162	0.066	2	96.8641	0.054	4	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[5,5]-2:C[6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5,6]C[5,5,6]C[5,6]H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[6]C[6]BrH){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	96.8348	0.000	1	97.0162	0.066	2	96.8641	0.054	4	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	99.0563	0.000	1	99.0563	0.000	1	99.0563	0.000	1	97.1078	0.407	13	96.6109	0.484	62	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[3x5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Br<1>,1|C<4>,1|S<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|H<1>,2|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	95.7474	0.000	1	95.7474	0.000	1	95.9453	0.078	2	95.9453	0.078	2	96.2055	0.242	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[3x5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH)	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H){1|Cl<1>,1|C<4>,1|S<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[3x5,6](C[5,5,6]C[5,6]C[5]Cl)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]S[5]HH){6|H<1>}	96.1431	0.000	1	96.1431	0.000	1	95.9453	0.078	2	95.9453	0.078	2	96.2055	0.242	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[3x5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3x5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5]-4:	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5]O[5]HH)	O[5,5](C[3x5,6]C[3,5,6]C[5,5,6]C[5])(C[5,5,6]C[3,5,6]C[5,6]H){1|Br<1>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|H<1>,2|C<4>}	C[3x5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5,6]C[5,6]C[5]Br)(O[5,5]C[5,5,6])(C[5]O[5]HH){6|H<1>}	96.7260	0.000	1	96.7260	0.000	1	96.7260	0.000	1	96.7260	0.000	1	96.2055	0.242	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	2:3:3:1:	2:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<2>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<2>,2|H<1>}	95.6398	0.000	2	95.6398	0.000	2	95.6398	0.000	2	95.6398	0.000	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	2:3:3:1:	2:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	95.0993	0.192	2	95.0993	0.037	2	95.1978	0.048	3	95.1978	0.048	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	2:3:3:1:	2:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	95.3949	0.000	1	95.3949	0.000	1	95.1978	0.048	3	95.1978	0.048	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	2:3:3:4:	2:3:3:4:	C[5,5,6]-4:C[5,5,6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,6]2C)2{2|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	96.4530	0.000	1	96.4530	0.000	1	96.4530	0.000	1	96.4530	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:1:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	94.9969	0.000	1	94.9969	0.000	1	94.9969	0.000	1	94.9969	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	95.9933	0.000	1	95.9933	0.000	1	95.9933	0.000	1	95.9933	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:2:	2:3:3:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-3:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2O){1|C<4>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)2(COO){1|C<3>,1|C<4>,1|O<2>}	95.0867	0.000	1	95.0867	0.000	1	95.0867	0.000	1	95.0867	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:3:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CC[6a]O){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	95.8134	0.000	1	95.8134	0.000	1	95.6773	0.037	2	95.6773	0.037	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:3:	3:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	95.5411	0.000	1	95.5411	0.000	1	95.6773	0.037	2	95.6773	0.037	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:3:	3:2:3:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	98.3145	0.000	1	98.3145	0.000	1	98.2124	0.021	2	98.2124	0.021	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:3:	3:2:3:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|C<4>,1|S<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	98.1103	0.000	1	98.1103	0.000	1	98.2124	0.021	2	98.2124	0.021	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:4:	3:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	96.1327	0.000	1	96.1327	0.000	1	96.1327	0.000	1	96.9430	0.495	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:4:	3:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	97.3961	0.000	1	97.3961	0.000	1	97.3482	0.005	2	96.9430	0.495	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:2:3:4:	3:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	97.3002	0.000	1	97.3002	0.000	1	97.3482	0.005	2	96.9430	0.495	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:1:	3:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|C<3>,2|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	95.1640	0.000	1	95.1640	0.000	1	95.1640	0.000	1	95.0555	1.061	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:1:	3:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]2H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]2H)2{4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	96.7375	0.000	1	96.7375	0.000	1	96.7375	0.000	1	95.0555	1.061	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:1:	3:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	95.2207	0.099	2	95.2207	0.010	2	95.2207	0.010	2	95.0555	1.061	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:1:	3:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6]-3:C[5,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])2(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	93.9951	0.387	2	93.9951	0.150	2	93.9951	0.150	2	95.0555	1.061	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:3:	3:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	98.2900	0.174	3	98.2900	0.030	3	98.0644	0.120	6	98.0644	0.120	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:3:	3:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	97.6499	0.146	2	97.6499	0.021	2	98.0644	0.120	6	98.0644	0.120	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:3:	3:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	98.2164	0.000	1	98.2164	0.000	1	98.0644	0.120	6	98.0644	0.120	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<2>,1|C<4>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	98.7834	0.055	3	98.7834	0.003	3	98.7834	0.003	3	98.7834	0.003	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:3:4:2:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	97.1347	0.000	1	97.1347	0.000	1	97.1347	0.000	1	97.1347	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,3x6]-3:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,3x6]C[5,5,6]H)2	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,3x6]C[5,5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,3x6]C[5,3x6]C[3x6])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	97.3218	0.000	1	97.3218	0.000	1	97.3218	0.000	1	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	96.5704	0.000	1	96.5704	0.000	1	97.0519	0.464	2	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	97.5333	0.000	1	97.5333	0.000	1	97.0519	0.464	2	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	96.7485	0.140	2	96.7485	0.020	2	96.7566	0.010	3	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	96.7727	0.000	1	96.7727	0.000	1	96.7566	0.010	3	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	96.6381	0.000	1	96.6381	0.000	1	96.4827	0.028	3	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	96.5062	0.000	1	96.5062	0.000	1	96.4827	0.028	3	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	96.3038	0.000	1	96.3038	0.000	1	96.4827	0.028	3	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|Si<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	96.2783	0.151	2	96.2783	0.023	2	96.4023	0.064	9	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	96.5936	0.000	1	96.2613	0.087	3	96.4023	0.064	9	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	96.0951	0.091	2	96.2613	0.087	3	96.4023	0.064	9	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	96.5881	0.232	3	96.5881	0.054	3	96.4023	0.064	9	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	96.5163	0.000	1	96.5163	0.000	1	96.4023	0.064	9	96.5980	0.144	18	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	97.2526	0.000	1	97.2526	0.000	1	97.2526	0.000	1	97.1960	0.174	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H){1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	97.7157	0.000	1	97.7157	0.000	1	97.7157	0.000	1	97.1960	0.174	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	96.7044	0.000	1	96.7044	0.000	1	96.9079	0.083	2	97.1960	0.174	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	97.1114	0.000	1	97.1114	0.000	1	96.9079	0.083	2	97.1960	0.174	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	95.8623	0.000	1	95.8623	0.000	1	95.8623	0.000	1	95.8623	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:2:3:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	97.6885	0.000	1	97.6885	0.000	1	98.7253	0.545	4	98.7253	0.545	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:2:3:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|P<4>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	99.0709	0.317	3	99.0709	0.100	3	98.7253	0.545	4	98.7253	0.545	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a]){2|C<4>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	99.2177	0.000	1	99.2177	0.000	1	99.2177	0.000	1	99.2177	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){2|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO){1|F<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	96.4976	0.000	1	96.4976	0.000	1	96.4976	0.000	1	96.4976	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:S-2:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a])	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S){3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a]){2|H<1>,4|C<3>}	97.9944	0.000	1	97.9944	0.000	1	97.9944	0.000	1	97.9944	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|H<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	98.4191	0.000	1	98.4191	0.000	1	98.2771	0.089	3	98.8647	1.549	7	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	97.9338	0.000	1	98.2061	0.148	2	98.2771	0.089	3	98.8647	1.549	7	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	98.4783	0.000	1	98.2061	0.148	2	98.2771	0.089	3	98.8647	1.549	7	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2{2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	98.5280	0.155	3	98.5280	0.024	3	98.5280	0.024	3	98.8647	1.549	7	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:P[5,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a]){1|Cl<1>,1|W<6>,2|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2){5|C<3>,5|H<1>}	101.6380	0.000	1	101.6380	0.000	1	101.6380	0.000	1	98.8647	1.549	7	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:3:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	98.0155	0.000	1	98.0155	0.000	1	98.0155	0.000	1	98.0155	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:4:	3:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	97.7907	0.000	1	97.7907	0.000	1	97.7907	0.000	1	97.7907	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:2:4:	3:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Si)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Si)2{2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	99.9035	0.000	1	99.9035	0.000	1	99.9035	0.000	1	99.9035	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	3:4:3:2:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	97.7432	0.000	1	97.7432	0.000	1	97.7432	0.000	1	97.7432	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	97.9880	0.000	1	97.9880	0.000	1	97.9880	0.000	1	96.6925	3.357	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2{2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	95.3970	0.000	1	95.3970	0.000	1	95.3970	0.000	1	96.6925	3.357	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3)	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C){1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6]O[5,6]C[6]2)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){2|C<3>,5|C<4>}	95.9782	0.000	1	95.9782	0.000	1	95.9782	0.000	1	95.9782	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C){1|N<3>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	96.7539	0.404	4	96.7539	0.163	4	96.7539	0.163	4	96.8266	0.118	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	96.8357	0.000	1	96.8357	0.000	1	96.9720	0.037	2	96.8266	0.118	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	97.1084	0.000	1	97.1084	0.000	1	96.9720	0.037	2	96.8266	0.118	6	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C){1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,3|C<4>}	95.9084	0.000	1	95.9084	0.000	1	95.9084	0.000	1	95.6003	0.190	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H){1|Ru<8>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|H<1>,1|O<2>,2|C<4>}	95.2922	0.000	1	95.2922	0.000	1	95.2922	0.000	1	95.6003	0.190	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	2:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|C<4>,3|H<1>}	95.2479	0.000	1	95.2479	0.000	1	95.3793	0.035	2	95.3793	0.035	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	2:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|H<1>}	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(H){1|N<3>,3|H<1>}	95.5107	0.000	1	95.5107	0.000	1	95.3793	0.035	2	95.3793	0.035	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3x5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	96.4789	0.200	5	96.4789	0.040	5	96.4789	0.040	5	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	96.1831	0.000	1	96.1831	0.000	1	96.1189	0.010	3	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	96.0022	0.000	1	96.0022	0.000	1	96.1189	0.010	3	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	96.1713	0.000	1	96.1713	0.000	1	96.1189	0.010	3	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	95.4120	0.414	4	95.4120	0.172	4	95.6408	0.170	7	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	95.9458	0.087	3	95.9458	0.008	3	95.6408	0.170	7	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	95.0466	0.000	1	95.0466	0.000	1	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	96.2142	0.000	1	96.2142	0.000	1	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	95.6054	0.000	1	96.0257	0.142	24	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,5|H<1>}	96.5376	0.103	2	96.0257	0.142	24	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	95.9542	0.304	18	96.0257	0.142	24	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	96.5704	0.370	2	96.0257	0.142	24	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|N<3>,5|H<1>}	95.6193	0.000	1	96.0257	0.142	24	95.9953	0.170	26	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	95.7158	0.000	1	95.7158	0.000	1	95.4069	0.191	2	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{2|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	95.0981	0.000	1	95.0981	0.000	1	95.4069	0.191	2	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	95.8740	0.066	2	95.8740	0.004	2	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	95.6889	0.000	1	95.6889	0.000	1	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	96.2986	0.000	1	96.2986	0.000	1	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|F<1>,2|H<1>}	96.4858	0.339	3	96.4858	0.115	3	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]BrC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	95.6171	0.238	3	95.6171	0.057	3	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	95.5335	0.000	1	95.5335	0.000	1	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<2>,1|O<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<2>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	95.6323	0.000	1	95.6323	0.000	1	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|P<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,2|P<4>}	C[5,5,6](C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(C[5,6]C[5,6]P)(H){4|H<1>}	96.5927	0.414	3	96.5927	0.172	3	96.0659	0.243	15	95.9986	0.209	58	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	97.2024	0.147	2	97.2024	0.022	2	96.9312	0.051	11	96.8360	0.097	13	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	97.0042	0.209	3	97.0042	0.044	3	96.9312	0.051	11	96.8360	0.097	13	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	96.8398	0.070	2	96.8398	0.005	2	96.9312	0.051	11	96.8360	0.097	13	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	96.7865	0.212	4	96.7865	0.045	4	96.9312	0.051	11	96.8360	0.097	13	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	96.3122	0.006	2	96.3122	0.000	2	96.3122	0.000	2	96.8360	0.097	13	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|Br<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]Br)(O[5,5]C[5,5,6])(H){1|C<4>,3|H<1>}	95.7273	0.383	2	95.7273	0.146	2	95.7273	0.146	2	95.7273	0.146	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:2:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5,6]O){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	96.2106	0.000	1	96.2106	0.000	1	96.2106	0.000	1	96.2106	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	96.4112	0.000	1	96.4112	0.000	1	96.4112	0.000	1	96.3239	0.015	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHN){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	96.2366	0.000	1	96.2366	0.000	1	96.2366	0.000	1	96.3239	0.015	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:2:3:2:	C[5,5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]O){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	96.4985	0.071	2	96.4985	0.005	2	96.4985	0.005	2	96.4985	0.005	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	97.3551	0.032	3	97.3551	0.001	3	97.3551	0.001	3	96.3860	1.778	5	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:N-3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	94.9324	0.260	2	94.9324	0.068	2	94.9324	0.068	2	96.3860	1.778	5	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:3:	4:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH)	O[5,5](C[5,5,6]C[5,6]2N[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(CCH){1|N<3>,1|O<1>,2|H<1>}	97.1992	0.000	1	97.1992	0.000	1	97.1992	0.000	1	97.1992	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	97.0097	0.024	2	97.0097	0.001	2	97.0097	0.001	2	96.9394	0.154	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<4>,1|O<2>,2|F<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	97.3382	0.000	1	97.3382	0.000	1	97.3382	0.000	1	96.9394	0.154	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<4>,2|H<1>}	96.3999	0.000	1	96.3999	0.000	1	96.3999	0.000	1	96.9394	0.154	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	97.8246	0.373	2	97.8246	0.139	2	97.8246	0.139	2	97.8162	0.070	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	97.7994	0.000	1	97.7994	0.000	1	97.7994	0.000	1	97.8162	0.070	3	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:4:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|F<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	98.0599	0.000	1	98.0599	0.000	1	98.0599	0.000	1	98.0599	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	96.2309	0.000	1	96.2309	0.000	1	96.2309	0.000	1	96.1998	0.002	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	96.1688	0.000	1	96.1688	0.000	1	96.1688	0.000	1	96.1998	0.002	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[5a])(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	95.7253	0.000	1	95.7253	0.000	1	95.7253	0.000	1	95.7253	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]H)2{6|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	97.0944	0.000	1	97.0944	0.000	1	97.0944	0.000	1	96.8340	0.027	5	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	96.7689	0.091	4	96.7689	0.008	4	96.7689	0.008	4	96.8340	0.027	5	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:3:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	97.4717	0.651	4	97.4717	0.423	4	97.4717	0.423	4	97.4717	0.423	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	98.7544	0.000	1	98.7544	0.000	1	98.7087	0.004	2	98.7087	0.004	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	3:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	98.6630	0.000	1	98.6630	0.000	1	98.7087	0.004	2	98.7087	0.004	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,5,6]C[5,5,6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	96.2263	0.000	1	96.2263	0.000	1	96.2263	0.000	1	96.2263	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2{4|C<4>,6|C<3>}	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	98.5753	0.000	1	98.5753	0.000	1	98.5753	0.000	1	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	98.3215	0.086	3	98.3215	0.007	3	98.3293	0.006	5	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	98.3410	0.100	2	98.3410	0.010	2	98.3293	0.006	5	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{1|H<1>,2|C<4>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	98.8117	0.564	2	98.8117	0.318	2	98.1335	0.423	8	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	98.4911	0.306	2	97.9074	0.283	6	98.1335	0.423	8	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	97.6156	0.317	4	97.9074	0.283	6	98.1335	0.423	8	98.2350	0.248	14	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H){2|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,6]O[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	95.5320	0.098	3	95.5320	0.010	3	95.5320	0.010	3	96.4972	3.732	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:O[5,5]-2:S[5,6]-2:H-1:	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H)	O[5,5](C[5,5,6]C[5,6]S[5,6]H)(C[5,5,6]C[5,6]2H){2|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(C[5,6]S[5,6]HH)(O[5,5]C[5,5,6])(H){1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(S[5,6]C[5,6])(H){1|O<2>,4|H<1>}	99.3926	0.000	1	99.3926	0.000	1	99.3926	0.000	1	96.4972	3.732	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:3:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|O<1>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	97.6620	0.306	4	97.6620	0.093	4	97.6620	0.093	4	97.6620	0.093	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]2)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	97.3736	0.295	2	97.3736	0.087	2	97.0685	0.156	4	97.0685	0.156	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	96.7634	0.095	2	96.7634	0.009	2	97.0685	0.156	4	97.0685	0.156	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[3,5,6]C[5,5,6]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	97.1821	0.000	1	97.1821	0.000	1	97.1821	0.000	1	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	97.9512	0.091	5	97.9512	0.008	5	97.9512	0.008	5	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)2{2|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5]Br)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	97.1524	0.000	1	97.1524	0.000	1	97.1524	0.000	1	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2{2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	96.2797	0.454	2	96.2797	0.207	2	96.2797	0.207	2	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]2H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]2H)2{2|C<3>,2|S<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5,6]S[5]H)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	96.4839	0.000	1	96.4839	0.000	1	96.4839	0.000	1	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	96.3939	0.000	1	96.3939	0.000	1	96.3327	0.024	12	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	96.3433	0.000	1	96.3433	0.000	1	96.3327	0.024	12	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	96.2984	0.000	1	96.2984	0.000	1	96.3327	0.024	12	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	96.3394	0.188	8	96.3286	0.032	9	96.3327	0.024	12	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	96.2421	0.000	1	96.3286	0.032	9	96.3327	0.024	12	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	96.2562	0.261	2	96.2562	0.068	2	96.2562	0.068	2	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|Br<1>,1|N<3>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]BrN)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|Br<1>,1|C<3>,3|H<1>}	97.4767	0.000	1	97.4767	0.000	1	96.3184	0.434	9	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,4|H<1>}	96.1788	0.185	4	96.1788	0.034	4	96.3184	0.434	9	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HI)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)2(O[5,5]C[5,5,6])(H){1|C<3>,1|I<1>,3|H<1>}	97.2507	0.000	1	97.2507	0.000	1	96.3184	0.434	9	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>}	95.3673	0.000	1	95.3673	0.000	1	96.3184	0.434	9	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)2	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<3>,2|C<4>,2|H<1>}	96.0279	0.072	2	96.0279	0.005	2	96.3184	0.434	9	96.6214	0.494	33	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	98.2633	0.000	1	98.2633	0.000	1	98.2633	0.000	1	98.2633	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:4:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-3:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C){4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(COO){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	97.4313	0.262	2	97.4313	0.069	2	97.4313	0.069	2	97.4313	0.069	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:3:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	97.6338	0.121	4	97.6338	0.015	4	97.6338	0.015	4	97.6338	0.015	4	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:3:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H){1|C<3>,3|H<1>,4|C<4>}	97.7301	0.000	1	97.7301	0.000	1	97.7301	0.000	1	97.7301	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P){1|O<2>,1|P<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	95.6056	0.000	1	95.6056	0.000	1	95.2706	0.224	2	95.2706	0.224	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:P-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt)	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H)	O[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2P){1|P<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(PC[6a]2Pt){5|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)2(O[5,5]C[5,5,6])(H){2|P<4>,3|H<1>}	94.9356	0.000	1	94.9356	0.000	1	95.2706	0.224	2	95.2706	0.224	2	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5,5]-2:C-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,5,6,6]2C)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3)	O[5,5](C[5,5,6]C[5,5,6,6]2C)2{4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3){4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3){4|H<1>,7|C<4>}	96.8823	0.126	3	96.8823	0.016	3	96.8823	0.016	3	97.4765	0.347	10	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	97.5549	0.770	2	97.5549	0.593	2	97.5549	0.593	2	97.4765	0.347	10	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|N<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|N<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	98.1694	0.426	2	98.1694	0.182	2	97.8016	0.224	5	97.4765	0.347	10	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	97.5564	0.363	3	97.5564	0.132	3	97.8016	0.224	5	97.4765	0.347	10	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,5]	C[5,5,6]	C[5,5,6]	4:4:	4:4:4:2:	4:2:3:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5]-4:C[5,6]-4:C[5,6]-4:O[5,5]-2:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	O[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H)	O[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5,6]C[5,6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5]C[5,6]O[5]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(H){1|C<3>,1|C<4>,3|H<1>}	96.8053	0.000	1	96.8053	0.000	1	96.8053	0.000	1	96.8053	0.000	1	96.8005	1.204	273	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[3x5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5,5,6,6]-4:C[5,5]-4:O[5,6]-2:H-1:	O[5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,5,6]C[5,5,6,6]C[5,5]H)	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH)	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H)	O[5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,5,6]C[5,5,6,6]C[5,5]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5]C[3x5,6]HO)(O[5,6]C[3x5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,6|C<4>}	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[3x5,6]	C[5,6,6]	4:4:	4:4:2:4:	4:2:2:4:	C[3x5,6]-4:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C)	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH)	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[3x5,6](C[5,5,6,6]C[3,5,6]C[3x6]C[5])(C[5,5,6]C[5,6,6]O[5,6]O)(O[5,6]C[5,6,6])(C[5]O[5]CH){1|O<1>,1|O<2>,7|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	102.1830	0.129	4	102.1830	0.017	4	102.1830	0.017	4	102.1830	0.017	4	102.4520	0.374	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[3x5,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	O[5,6](C[3x5,6]C[3x5,6]C[5,6,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	C[3x5,6](C[5,6,6]C[5,6,6]C[6]2)(C[3x5,6]C[5,6]2C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH){13|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	103.5280	0.000	1	103.5280	0.000	1	103.5280	0.000	1	103.5280	0.000	1	102.4520	0.374	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[3x5,6]	C[5,6]	4:4:	4:4:2:3:	2:4:4:4:	C[3x5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-3:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C)	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[3x5,6](C[5,5,6]C[5]C[6]O[5])(C[5,5]C[5]2C)(O[5,6]C[5,6])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	104.3920	0.033	2	104.3920	0.001	2	104.3920	0.001	2	104.3920	0.001	2	104.3920	0.001	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,3x6]	C[5,5,3x6]	4:4:	4:2:4:4:	4:4:2:1:	C[5,3x6]-4:C[5,5,3x6]-4:	C[4x5,6,6]-4:O[5,6]-2:C[3x6]-4:C[6,6]-4:	C[3x5,3x6]-4:C[5,4x6]-4:O[5,6]-2:H-1:	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H)	O[5,6](C[5,3x6]C[4x5,6,6]C[3x6]C[6,6])(C[5,5,3x6]C[3x5,3x6]C[5,4x6]H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[4x5,6,6]C[3x5,3x6]2O[5,6])(O[5,6]C[5,5,3x6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<3>,5|C<4>,7|H<1>}	C[5,5,3x6](C[3x5,3x6]C[4x5,6,6]C[5,4x6]H)(C[5,4x6]C[3x5,3x6]C[6,6]H)(O[5,6]C[5,3x6])(H){1|O<2>,4|C<4>,4|H<1>}	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,3x6]	C[5,6]	4:4:	3:4:4:2:	2:4:2:4:	C[5,3x6]-4:C[5,6]-4:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	103.2800	0.000	1	103.2025	0.012	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,3x6]	C[5,6]	4:4:	4:4:2:4:	4:2:2:1:	C[5,3x6]-4:C[5,6]-4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C[6]-4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H)	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	O[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){2|C<4>,3|O<2>,9|H<1>}	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	103.1250	0.000	1	103.1250	0.000	1	103.1250	0.000	1	103.1250	0.000	1	103.2025	0.012	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,4x6]	C[5,6]	4:4:	4:4:2:4:	4:2:2:1:	C[5,4x6]-4:C[5,6]-4:	C[4x6]-4:C[5,3x6]-4:O[5,6]-2:C[6]-4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H)	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	O[5,6](C[5,4x6]C[5,3x6]C[4x6]C[6])(C[5,6]C[5]O[6]H){1|C<3>,4|C<4>,5|H<1>}	C[5,4x6](C[4x6]C[6,6,6a]C[3x6]H)(C[5,3x6]C[3x6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,9|H<1>}	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	103.0772	0.243	4	103.0772	0.059	4	103.0772	0.059	4	103.0772	0.059	4	103.0772	0.059	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:	4:4:2:2:	4:4:2:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:O[5,6]-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[5])	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH)	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]C[5]){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6]){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(C[5]C[5]CH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	103.0930	0.000	1	103.0930	0.000	1	103.0930	0.000	1	103.0930	0.000	1	103.0930	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:2:	4:2:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]O[5]H){2|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	105.2760	1.034	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O[5,6]-2:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[6,6]O[5,6])(C[5,5,6]C[3x5,6]C[5]H){1|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,5,6])2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	105.2760	1.034	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]H){2|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){2|O<2>,6|C<4>}	104.3090	0.000	1	104.3090	0.000	1	104.3090	0.000	1	104.3090	0.000	1	104.6183	0.337	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:2:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O){3|H<1>,3|O<2>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	104.2580	0.000	1	104.7730	0.530	2	104.7730	0.530	2	104.7730	0.530	2	104.6183	0.337	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:2:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	O[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]O){3|H<1>,3|O<2>,6|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	105.2880	0.000	1	104.7730	0.530	2	104.7730	0.530	2	104.7730	0.530	2	104.6183	0.337	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6]	4:4:	4:4:2:4:	2:4:2:1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,9|H<1>}	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	102.6190	0.000	1	102.6190	0.000	1	102.6190	0.000	1	102.6190	0.000	1	104.9763	5.456	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6]	4:4:	4:4:2:4:	2:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,6]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C)	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C){2|H<1>,2|O<2>,3|C<4>}	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	105.0200	0.000	1	105.0200	0.000	1	105.0200	0.000	1	105.0200	0.000	1	104.9763	5.456	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])(H)2{1|C<3>,2|C<4>,3|H<1>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	104.9763	5.456	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:2:	4:2:4:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6])	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6]){1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	101.4730	0.000	1	101.4730	0.000	1	101.4730	0.000	1	101.4730	0.000	1	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:4:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<4>,7|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	106.0830	0.000	1	106.0830	0.000	1	105.8185	0.140	2	105.8185	0.140	2	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:4:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,2|H<1>}	105.5540	0.000	1	105.5540	0.000	1	105.8185	0.140	2	105.8185	0.140	2	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:4:3:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	C[3x5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H)	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H)	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[3x5]C[5,6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]2O[5])(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	102.8860	0.000	1	102.8860	0.000	1	102.8860	0.000	1	102.8860	0.000	1	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:4:4:	3:2:4:2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6]-3:O[5,6]-2:C[5]-4:O[5]-2:	O[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,6]C[5]2)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5])	O[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,5,6]C[5,6]C[5]2){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5]CO)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	102.2170	0.000	1	102.2170	0.000	1	102.2170	0.000	1	102.2170	0.000	1	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,8|H<1>}	103.9860	0.000	1	103.8903	0.082	6	103.8140	0.109	7	103.8140	0.109	7	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	104.0603	0.116	3	103.8903	0.082	6	103.8140	0.109	7	103.8140	0.109	7	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	103.8160	0.000	1	103.8903	0.082	6	103.8140	0.109	7	103.8140	0.109	7	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	103.3590	0.000	1	103.8903	0.082	6	103.8140	0.109	7	103.8140	0.109	7	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	103.3560	0.000	1	103.3560	0.000	1	103.8140	0.109	7	103.8140	0.109	7	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	104.1220	0.000	1	104.1220	0.000	1	104.1220	0.000	1	104.1220	0.000	1	103.7718	1.483	13	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:2:2:4:	4:2:2:3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.1642	0.051	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H)	O[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H){1|C<3>,3|C<4>,3|H<1>}	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	103.1642	0.051	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){1|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	102.9910	0.000	1	103.2180	0.103	2	103.2180	0.103	2	103.2180	0.103	2	103.1642	0.051	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(H){1|H<1>,4|C<4>}	103.4450	0.000	1	103.2180	0.103	2	103.2180	0.103	2	103.2180	0.103	2	103.1642	0.051	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	3:4:2:3:	3:2:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H)	O[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	102.8490	0.000	1	102.8490	0.000	1	102.8490	0.000	1	102.8490	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	103.0380	0.076	2	102.9167	0.047	3	102.9167	0.047	3	102.9167	0.047	3	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	102.6740	0.000	1	102.9167	0.047	3	102.9167	0.047	3	102.9167	0.047	3	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:3:3:2:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	103.3100	0.000	1	103.3100	0.000	1	103.3100	0.000	1	103.3100	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:4:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){3|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[5]C[5]CC)(C[5]C[5]HH){3|C<4>,7|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	104.8600	0.000	1	104.8600	0.000	1	104.8600	0.000	1	104.8600	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:3:3:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,5]-4:O[5,6]-2:C[6]-3:C-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,5]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO){2|C<3>,3|H<1>,4|C<4>}	104.1890	0.000	1	104.1890	0.000	1	104.1890	0.000	1	104.1890	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	105.3050	0.000	1	105.3050	0.000	1	105.3050	0.000	1	105.3050	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[5,5]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	105.7990	0.000	1	105.7990	0.000	1	105.7990	0.000	1	105.7990	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:3:	2:3:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[6]-3:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:3:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]HO)(O[5,6]C[5,6])(CCO){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])(H)2{1|C<3>,3|H<1>,5|C<4>}	106.1155	0.415	2	106.1155	0.172	2	106.1155	0.172	2	106.1155	0.172	2	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:4:	4:2:3:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:4:	4:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	104.2480	0.000	1	104.8750	0.786	2	104.8750	0.786	2	104.8750	0.786	2	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:4:	4:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.5020	0.000	1	104.8750	0.786	2	104.8750	0.786	2	104.8750	0.786	2	104.6882	2.730	16	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H)	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]H){2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<1>,4|C<4>}	103.1310	0.000	1	103.3240	0.035	5	103.3240	0.035	5	103.3240	0.035	5	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<2>,4|C<4>}	103.3723	0.178	4	103.3240	0.035	5	103.3240	0.035	5	103.3240	0.035	5	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:1:	4:4:2:1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]Br)(C[5,5,6]C[5,5]C[5,6]H){1|Br<1>,1|C<4>,1|N<3>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]BrH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:1:	4:4:2:2:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[3x5]C[5,6]O){1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[3x5]C)(O[5,6]C[5,5,6])(C[6]C[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:2:	4:4:2:1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	2:4:4:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH)	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,5]C[5]C[6]){1|C<3>,1|O<2>,5|H<1>,8|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	105.3530	0.051	2	105.3530	0.003	2	105.3530	0.003	2	105.3530	0.003	2	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	4:4:2:1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H){2|C<4>,7|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|H<1>,1|O<2>,3|C<4>}	106.6658	0.346	4	106.6658	0.120	4	106.6658	0.120	4	106.6658	0.120	4	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x6]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]O)(O[5,6]C[5,5,6])(H){1|C<3>,1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	104.1605	0.199	2	104.1605	0.039	2	104.0380	0.065	3	104.0380	0.065	3	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	103.7930	0.000	1	103.7930	0.000	1	104.0380	0.065	3	104.0380	0.065	3	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<1>,4|C<4>}	105.2020	0.000	1	104.9620	0.052	6	104.9647	0.043	7	104.9647	0.043	7	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<2>,4|C<4>}	104.8367	0.154	4	104.9620	0.052	6	104.9647	0.043	7	104.9647	0.043	7	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	105.2230	0.000	1	104.9620	0.052	6	104.9647	0.043	7	104.9647	0.043	7	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.9810	0.000	1	104.9810	0.000	1	104.9647	0.043	7	104.9647	0.043	7	105.0302	1.530	26	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	2:3:4:4:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,7|H<1>}	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	103.2952	0.143	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	2:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5,6,6]-4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	103.4810	0.000	1	103.4810	0.000	1	103.4810	0.000	1	103.4810	0.000	1	103.2952	0.143	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:1:	4:2:4:2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H)	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6])	O[5,6](C[5,6,6]C[3,5,6]C[6]O[6])(C[5,6,6]C[5,6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	103.8460	0.000	1	103.8460	0.000	1	103.8460	0.000	1	103.8460	0.000	1	103.2952	0.143	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:2:	4:4:2:4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	102.9200	0.000	1	102.9200	0.000	1	102.9595	0.003	2	102.9595	0.003	2	103.2952	0.143	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:2:	4:4:2:4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	102.9990	0.000	1	102.9990	0.000	1	102.9595	0.003	2	102.9595	0.003	2	103.2952	0.143	5	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:2:4:4:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){3|C<4>,8|H<1>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,4|C<4>}	102.4065	0.175	2	102.4065	0.031	2	102.5363	0.066	3	102.5363	0.066	3	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:2:4:4:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]N[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,8|H<1>}	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]N[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	102.7960	0.000	1	102.7960	0.000	1	102.5363	0.066	3	102.5363	0.066	3	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:3:2:4:	3:2:3:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	102.5360	0.000	1	102.5360	0.000	1	102.5360	0.000	1	102.5360	0.000	1	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:4:2:2:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H)	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]O[6]HH)(H){1|C<4>,1|N<3>}	101.4390	0.000	1	101.4390	0.000	1	101.4390	0.000	1	101.4390	0.000	1	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:3:3:	4:2:3:1:	C[5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	103.1540	0.013	2	103.1540	0.000	2	103.1540	0.000	2	103.1540	0.000	2	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:3:3:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[5,5,6]C[6]2)(C[5,6]C[5,5]C[6]H){2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	103.2000	0.000	1	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:2:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){4|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	103.0515	0.067	2	103.0515	0.005	2	102.8285	0.095	4	102.8285	0.095	4	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:2:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>}	102.6055	0.286	2	102.6055	0.082	2	102.8285	0.095	4	102.8285	0.095	4	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	2:4:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	102.2410	0.000	1	102.1660	0.011	2	102.4755	0.066	6	102.4755	0.066	6	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	2:4:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[3]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<2>,9|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	102.0910	0.000	1	102.1660	0.011	2	102.4755	0.066	6	102.4755	0.066	6	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	2:4:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H)	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]O[6]H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,8|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	102.6303	0.099	4	102.6303	0.010	4	102.4755	0.066	6	102.4755	0.066	6	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	103.1840	0.185	2	103.1840	0.034	2	103.1840	0.034	2	103.1840	0.034	2	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:4:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)2{2|C<4>,9|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[6]BrH)(H){3|C<4>,3|H<1>}	104.0330	0.000	1	104.0330	0.000	1	104.0330	0.000	1	104.0330	0.000	1	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:3:2:4:	4:2:3:3:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:C[5,6]-3:O[5,6]-2:C[6]-4:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]CH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	104.0080	0.000	1	104.0080	0.000	1	104.0080	0.000	1	104.0080	0.000	1	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:4:	2:4:2:4:	C[5,6,6]-4:C[5,6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	103.4325	0.267	2	103.4325	0.071	2	103.4325	0.071	2	103.4325	0.071	2	102.8555	0.349	24	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	3:2:4:1:	4:3:2:4:	C[5,5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C[5]-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5]C[5]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]C[5]HH){4|C<3>,5|H<1>}	103.0960	0.000	1	103.0960	0.000	1	103.0960	0.000	1	103.0960	0.000	1	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	106.5200	0.426	4	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	107.2490	0.000	1	107.2490	0.000	1	106.5073	0.638	3	106.5200	0.426	4	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	105.6620	0.000	1	105.6620	0.000	1	106.5073	0.638	3	106.5200	0.426	4	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	106.6110	0.000	1	106.6110	0.000	1	106.5073	0.638	3	106.5200	0.426	4	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:4:4:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:3:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[6]-3:O[5,6]-2:C[5]-4:	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH)	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	103.1560	0.000	1	103.1560	0.000	1	103.1560	0.000	1	103.1560	0.000	1	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H){1|C<3>,1|N<2>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	106.3320	0.195	2	106.3320	0.038	2	106.3320	0.038	2	106.3320	0.038	2	105.9073	2.971	9	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:3:4:	2:3:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	103.4110	0.000	1	103.4110	0.000	1	103.4110	0.000	1	103.4110	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:3:	2:3:4:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	104.8200	0.000	1	104.8200	0.000	1	104.8200	0.000	1	104.8200	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:4:	2:4:4:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	105.5440	0.197	2	105.5440	0.039	2	105.5440	0.039	2	105.5440	0.039	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H){2|C<4>,2|H<1>,3|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	103.0160	0.000	1	103.0160	0.000	1	103.0160	0.000	1	103.0160	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:4:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	103.7470	0.000	1	103.7470	0.000	1	103.7470	0.000	1	103.7470	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	4:2:2:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C){2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	102.1140	0.000	1	102.1140	0.000	1	102.1140	0.000	1	102.1140	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	102.7600	0.000	1	102.7600	0.000	1	102.7600	0.000	1	102.7600	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:2:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	103.4440	0.037	2	103.4440	0.001	2	103.4440	0.001	2	103.4440	0.001	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:2:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5,5]-4:C[6]-3:C-2:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	O[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5,5]C[5]3)(C[6]C[6]H)(CC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	103.3705	0.054	2	103.3705	0.003	2	103.3705	0.003	2	103.3705	0.003	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:2:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	102.8190	0.188	2	102.8190	0.035	2	102.8390	0.019	5	102.8390	0.019	5	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:2:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	102.8523	0.137	3	102.8523	0.019	3	102.8390	0.019	5	102.8390	0.019	5	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1	102.4980	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	102.5290	0.000	1	102.5290	0.000	1	102.5290	0.000	1	102.5290	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:4:	2:4:4:2:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|Si<4>,2|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	104.2010	0.011	2	104.2010	0.000	2	104.2010	0.000	2	104.2010	0.000	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	100.2360	0.000	1	100.2360	0.000	1	100.2360	0.000	1	100.2360	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:2:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	102.0840	0.000	1	102.0840	0.000	1	102.0840	0.000	1	102.0840	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:4:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	104.1870	0.000	1	104.1870	0.000	1	104.1870	0.000	1	104.1870	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	2:4:3:2:	C[5,6]-4:C[5,6]-4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	102.7970	0.000	1	102.7970	0.000	1	102.7970	0.000	1	102.6540	0.041	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1	102.6540	0.041	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:1:	2:2:4:3:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC){1|H<1>,3|C<3>}	103.1910	0.000	1	103.1910	0.000	1	103.1910	0.000	1	103.1910	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:1:	3:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,4|C<3>}	103.2180	0.413	2	103.2180	0.171	2	103.2180	0.171	2	103.2180	0.171	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:3:2:	3:3:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a])	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6]){2|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	103.9270	0.000	1	103.9270	0.000	1	103.9270	0.000	1	103.9270	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	102.0080	0.000	1	102.0080	0.000	1	102.0080	0.000	1	102.0080	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5,6]C[6]H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5,5,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	104.3770	0.000	1	104.3770	0.000	1	104.3770	0.000	1	103.3860	1.964	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,6,6]C[6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5,6,6]C[6]H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	102.3950	0.000	1	102.3950	0.000	1	102.3950	0.000	1	103.3860	1.964	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:Se-2:	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a])	O[5,6](C[5,6]C[5,6]C[5]Se)(C[5,6]C[5,6]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Se<2>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(SeC[6a]){1|O<1>,2|C<4>,4|H<1>}	101.7330	0.000	1	101.7330	0.000	1	101.7330	0.000	1	101.7330	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:2:	2:4:3:3:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	102.7180	0.000	1	102.7180	0.000	1	102.7180	0.000	1	102.7180	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:3:	2:4:3:4:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	O[5,6](C[5,6]C[5]C[6]C)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	104.9420	0.021	2	104.9420	0.000	2	104.9420	0.000	2	104.9420	0.000	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:3:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	104.6400	0.000	1	104.6400	0.000	1	104.6400	0.000	1	104.6400	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5]C[5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	103.6660	0.000	1	103.6660	0.000	1	102.8765	1.247	2	102.8765	1.247	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	102.0870	0.000	1	102.0870	0.000	1	102.8765	1.247	2	102.8765	1.247	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]2C[6])(O[5,6]C[5,6])(C[5]C[5]CC)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	103.3180	0.000	1	103.3180	0.000	1	103.3180	0.000	1	103.3180	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	101.8563	0.140	4	101.8563	0.020	4	101.8563	0.020	4	101.8408	0.016	5	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]H){3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	101.7790	0.000	1	101.7790	0.000	1	101.7790	0.000	1	101.8408	0.016	5	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	102.8150	0.000	1	102.8150	0.000	1	102.7705	0.004	2	102.5913	0.098	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	102.7260	0.000	1	102.7260	0.000	1	102.7705	0.004	2	102.5913	0.098	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	102.2330	0.000	1	102.2330	0.000	1	102.2330	0.000	1	102.5913	0.098	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	102.9690	0.000	1	102.9690	0.000	1	102.8885	0.013	2	102.8885	0.013	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6]C[6]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	102.8080	0.000	1	102.8080	0.000	1	102.8885	0.013	2	102.8885	0.013	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C){3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	103.3895	0.015	2	103.3895	0.000	2	103.3895	0.000	2	103.3895	0.000	2	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	2:3:4:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	2:4:4:2:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){2|H<1>,3|C<4>}	104.8790	0.000	1	104.8790	0.000	1	104.8790	0.000	1	105.6660	0.466	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	105.6660	0.466	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){4|C<4>,5|H<1>}	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	105.6660	0.466	3	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C){1|C<3>,2|S<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6]S[6]2)(O[5,6]C[5,6])(H){1|C<3>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	103.8575	0.491	4	103.8575	0.241	4	103.8575	0.241	4	103.8575	0.241	4	103.3698	1.403	66	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5,6]	C[5,6]	4:4:	4:3:4:2:	4:2:4:4:	C[3x5,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,6]-3:C[5,5]-4:O[5]-2:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6])	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH)	O[5](C[3x5,6]C[3x5,6]C[5,5]C[5,6])(C[5,6]C[5]C[6]2){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[6]O[5])(C[5,5]C[5]2H)(O[5]C[5,6]){1|C<3>,1|O<2>,4|H<1>,8|C<4>}	C[5,6](C[5]C[3x5,6]HH)(O[5]C[3x5,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5,6]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[3x5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-3:N[5,5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5])	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<1>,1|S<4>,2|H<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<4>}	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	106.6110	3.598	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5,6]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[3x5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC)	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5])	C[5](O[5]C[3x5,6])2(CH3)2	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC){1|O<1>,2|C<3>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[3x5,6])2(CH3)2{2|C<3>,2|C<4>}	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	106.6110	3.598	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[3x5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:N[5,5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5])	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2	O[5](C[3x5,6]C[3x5,6]C[5,6]N[5,5])(C[5]C[5]HH){1|O<2>,1|S<4>,3|H<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[3x5,6])(H)2{1|S<4>,2|C<4>}	104.4270	0.000	1	104.4270	0.000	1	104.4270	0.000	1	104.4270	0.000	1	106.6110	3.598	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5,5]	4:4:	3:4:4:2:	4:4:2:2:	C[3x5]-4:C[5,5]-4:	C[5,6a]-3:C[3x5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,5]C[5]2O[5])	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5])	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2	O[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,5]C[5]2O[5]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5]){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	109.3495	1.414	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5,5]	4:4:	4:2:4:2:	4:4:2:2:	C[3x5]-4:C[5,5]-4:	C[3x5]-4:O[5]-2:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[3x5]C[3x5]C[5]O[5])(C[5,5]C[5]2O[5])	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5])	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2	O[5](C[3x5]C[3x5]C[5]O[5])(C[5,5]C[5]2O[5]){2|C<3>,4|C<4>,6|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[3x5])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	109.3495	1.414	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5,5]	4:4:	4:4:2:3:	4:2:2:1:	C[3x5]-4:C[5,5]-4:	C[4x5]-4:C[5,5]-4:O[5]-2:C[5]-3:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[3x5]C[4x5]C[5,5]C[5])(C[5,5]C[3x5]O[5]H)	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O)	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H)	O[5](C[3x5]C[4x5]C[5,5]C[5])(C[5,5]C[3x5]O[5]H){1|C<3>,1|O<1>,2|O<2>,6|C<4>}	C[3x5](C[4x5]C[3x5]C[5,5]C[5])(C[5,5]C[5,5]C[5]O)(O[5]C[5,5])(C[5]O[5]O){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,5](C[3x5]C[4x5]C[5]2)(O[5]C[3x5])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	110.3505	0.228	2	110.3505	0.052	2	110.3505	0.052	2	110.3505	0.052	2	109.3495	1.414	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<4>,1|N<3>,2|C<3>}	107.6270	0.000	1	107.6270	0.000	1	107.4650	0.022	3	107.4650	0.022	3	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5])	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3x5](C[3x5]C[5]2O[5])(C[5]C[5]Si)(N[5]C[5]H)(O[5]C[5]){1|O<1>,7|H<1>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	107.3840	0.064	2	107.3840	0.004	2	107.4650	0.022	3	107.4650	0.022	3	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:3:4:2:	3:2:1:1:	C[3x5]-4:C[5]-4:	C[3x5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2	O[5](C[3x5]C[3x5]N[5,5]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,3|O<1>,6|H<1>}	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2{3|C<4>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:3:4:2:	4:2:4:1:	C[3x5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH)	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	107.8235	0.738	2	108.0160	0.304	4	107.7165	1.158	10	107.6246	1.135	11	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5])2{2|C<3>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	108.2085	0.469	2	108.0160	0.304	4	107.7165	1.158	10	107.6246	1.135	11	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]2Cl)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x5](C[5,5,6]C[5,6]2Cl)2(O[5]C[5])2{2|Cl<1>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	107.2645	0.015	2	107.2645	0.000	2	107.7165	1.158	10	107.6246	1.135	11	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]2H)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5,6]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[3x5](C[5,5,6]C[5,6]2H)2(O[5]C[5])2{2|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[3x5])(H)2{2|C<4>}	107.6430	1.705	4	107.6430	2.908	4	107.7165	1.158	10	107.6246	1.135	11	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]HH)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[3x5])(H)2{1|C<4>,1|H<1>,2|O<2>}	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	107.6246	1.135	11	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:2:1:	C[3x5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO)	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	O[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]HO){1|C<3>,3|C<4>,4|H<1>}	C[3x5](C[3x5]C[5]3)(C[5]C[5]HH)(O[5]C[5])2{1|O<1>,1|O<2>,9|H<1>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]CC)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]CC){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2O)(O[5]C[5])2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2{1|C<3>,1|C<4>,2|O<2>}	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.1210	0.000	1	109.1210	0.000	1	109.1163	0.000	3	109.1163	0.000	3	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5])	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.1140	0.000	2	109.1140	0.000	2	109.1163	0.000	3	109.1163	0.000	3	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(H)2{1|C<3>,1|N<3>,2|C<4>}	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2	O[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH){1|C<3>,3|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[3x5])(H)2{1|H<1>,3|C<4>}	110.4830	0.219	2	110.4830	0.048	2	110.4830	0.048	2	110.4830	0.048	2	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[3x5]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[3x5]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6,6]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO)	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H)	O[5](C[3x5]C[5,5,6,6]C[5,5,6]C[5])(C[5]C[5]HO){2|O<2>,4|C<4>,4|H<1>}	C[3x5](C[5,5,6]C[5,6]O[5,6]O)(C[5,5,6,6]C[5,6,6]2C)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[3x5])(ON)(H){2|C<4>,2|H<1>}	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	108.2991	2.348	25	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:3:3:2:	4:2:3:4:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:2:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]O[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,8|C<4>}	C[5,3x6](C[5,4x6]C[3,6,6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[3,6]C[6])(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	106.9757	0.176	3	106.9757	0.031	3	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	107.0630	0.000	1	106.6080	0.502	5	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	106.1410	1.117	2	106.6080	0.502	5	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	106.8560	0.000	1	106.6080	0.502	5	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	106.8390	0.000	1	106.6080	0.502	5	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,3x6]-4:C[5,6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O)	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	O[5](C[5,3x6]C[5,4x6]C[6,6]C[6])(C[5,6]C[5,6,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(C[6]O[6]O){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.0000	0.000	1	107.0000	0.000	1	106.7741	0.297	9	106.7741	0.297	9	107.0570	0.651	11	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5]	4:4:	3:3:3:2:	3:2:1:1:	C[5,3x6]-4:C[5]-4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2	O[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[5](C[5]C[5,6,6]H)(O[5]C[5,3x6])(H)2{1|C<4>,2|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.2922	3.170	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,3x6]-4:C[5]-4:	C[3x6]-4:C[5,3x6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH)	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2	O[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,3x6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){11|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5,3x6]HH)(O[5]C[5,3x6])(H)2{4|C<4>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.2922	3.170	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[5,3x6]-4:C[5]-4:	C[4x6]-4:C[5,4x6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO)	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	O[5](C[5,3x6]C[5,4x6]C[4x6]C[6])(C[5]C[5]HO){5|C<4>,5|H<1>}	C[5,3x6](C[4x6]C[3x6]C[6,6]H)(C[5,4x6]C[3x6]2C[5])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,5|C<4>,9|H<1>}	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	109.2922	3.170	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,3x6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,3x6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC)	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC){1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,4x6]O[5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2{1|H<1>,3|C<4>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	109.2922	3.170	4	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,3x6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,5,3x6]-4:C[5]-4:	C[5,5,3x6]-4:C[5,4x6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,5,3x6]C[5,5,3x6]C[5,4x6]C[5,6])(C[5]C[5,6,6]CC)	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5])	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	O[5](C[5,5,3x6]C[5,5,3x6]C[5,4x6]C[5,6])(C[5]C[5,6,6]CC){3|H<1>,3|O<2>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2{1|O<2>,2|H<1>,4|C<4>}	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,5,6,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2	O[5](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,5,6,6])(H)2{1|N<3>,3|C<4>}	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5,6]	4:4:	4:3:2:3:	4:3:2:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	O[5](C[5,5,6]C[5,5]N[5,6]C[6])2{2|C<3>,2|H<1>,2|N<3>,2|O<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	3:4:2:3:	4:2:4:2:	C[5,5,6]-4:C[5,5]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>,2|O<2>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.2930	0.000	1	108.2930	0.000	1	108.7415	0.402	2	108.7415	0.402	2	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	3:4:2:3:	4:2:4:2:	C[5,5,6]-4:C[5,5]-4:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	O[5](C[5,5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5]C[3x5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.1900	0.000	1	109.1900	0.000	1	108.7415	0.402	2	108.7415	0.402	2	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:2:2:2:	4:2:2:4:	C[5,5,6]-4:C[5,5]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5]-2:O[5]-2:C-4:	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,5]C[5,5,6]O[5]C)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3)	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,5]C[5,5,6]O[5]C){1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6]){1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:2:3:2:	4:2:4:2:	C[5,5,6]-4:C[5,5]-4:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	O[5](C[5,5,6]C[5,6]2O[5,6])(C[5,5]C[5,5,6]C[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:3:3:2:	4:3:2:2:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O){1|N<3>,2|H<1>,7|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:1:	2:2:2:2:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]O[5]3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H)	C[5,5](O[5]C[5,5,6])2(O[5]C[5,6a])2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]O[5]3){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,5])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5](O[5]C[5,5,6])2(O[5]C[5,6a])2{2|C<3>,2|C<4>,2|H<1>}	109.9975	0.473	2	109.9975	0.224	2	109.9975	0.224	2	109.9975	0.224	2	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|C<3>,2|C<4>,2|H<1>}	109.2720	0.849	2	109.0323	0.239	6	108.8686	0.273	8	108.8686	0.273	8	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|N<3>,2|C<4>,2|H<1>}	109.0010	0.051	2	109.0323	0.239	6	108.8686	0.273	8	108.8686	0.273	8	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	108.8240	0.520	2	109.0323	0.239	6	108.8686	0.273	8	108.8686	0.273	8	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3)	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5,5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3){1|C<3>,2|C<4>,2|H<1>}	108.3775	0.261	2	108.3775	0.068	2	108.8686	0.273	8	108.8686	0.273	8	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:3:	4:2:2:1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	O[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5,5]C[5,5]O[5]H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.3825	0.315	4	111.3825	0.099	4	111.3825	0.099	4	111.3825	0.099	4	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,5]	4:4:	4:4:2:4:	4:2:3:1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3)	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H)	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,5,6])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	107.3080	0.195	2	107.3080	0.038	2	107.3080	0.038	2	107.3080	0.038	2	109.2250	1.988	21	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:2:2:	2:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C){3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:2:2:	4:2:3:1:	C[5,5,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5,6])2	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5,6]C[5,6]C[6]H){1|O<2>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5,6])2{5|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	106.3250	2.604	2	106.3250	6.779	2	106.3250	6.779	2	106.3250	6.779	2	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5,5,6]C[6]H){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	100.8920	0.000	1	100.8920	0.000	1	100.8920	0.000	1	100.8920	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:4:2:	3:4:2:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5,6]	4:4:	4:4:4:2:	4:2:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5,6]){1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,4|C<4>}	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	107.1380	9.093	8	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,6]N[5,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,6a]-3:C[5,5,6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,3|C<4>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	107.6515	6.390	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	107.6515	6.390	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[3x5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[3x5,6]O[5,6]H)(C[5]C[5,5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]2H)(O[5,6]C[5,5,6,6])(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	106.1670	0.000	1	105.8787	0.161	3	106.4886	1.099	5	106.4886	1.099	5	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>}	105.7345	0.445	2	105.8787	0.161	3	106.4886	1.099	5	106.4886	1.099	5	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{4|C<4>,6|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>}	107.4035	1.132	2	107.4035	1.282	2	106.4886	1.099	5	106.4886	1.099	5	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	2:4:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:C-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	108.8390	0.000	1	108.6433	0.029	3	108.6433	0.029	3	108.6433	0.029	3	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	2:4:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:C-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH){1|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(O[5]C[5])2{5|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	108.5455	0.029	2	108.6433	0.029	3	108.6433	0.029	3	108.6433	0.029	3	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:2:2:	4:2:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH)	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	110.2730	0.458	2	110.2730	0.210	2	110.2730	0.210	2	110.2730	0.210	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5,6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.9140	0.000	2	108.9140	0.000	2	108.9140	0.000	2	108.9140	0.000	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:4:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Br<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Br)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Br<1>,2|C<4>,3|O<2>,4|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.1330	0.000	2	108.1330	0.000	2	108.0740	0.418	12	108.0740	0.418	12	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:4:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,4|H<1>,4|O<2>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.8230	0.000	2	108.8230	0.000	2	108.0740	0.418	12	108.0740	0.418	12	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:4:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,1|C<4>,3|O<2>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.8100	0.957	4	107.8100	0.916	4	108.0740	0.418	12	108.0740	0.418	12	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:4:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-3:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|Cl<1>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(O[5]C[5]){1|Cl<1>,2|C<4>,3|O<2>,4|H<1>}	C[5](O[5]C[5,5,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.9340	0.346	4	107.9340	0.120	4	108.0740	0.418	12	108.0740	0.418	12	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:3:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<4>,1|N<3>,2|C<3>}	107.4115	1.725	2	107.4115	2.974	2	107.4115	2.974	2	107.4115	2.974	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	106.3020	0.000	1	106.7415	0.386	2	106.7415	0.386	2	106.7415	0.386	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	107.1810	0.000	1	106.7415	0.386	2	106.7415	0.386	2	106.7415	0.386	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CCHH)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH){2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])2(CCHH)(H){2|C<4>,2|H<1>}	106.6125	0.278	2	106.6125	0.077	2	106.6125	0.077	2	106.6125	0.077	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|H<1>,5|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	108.8435	3.690	2	108.7622	4.656	4	108.7622	4.656	4	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Br<1>,2|H<1>,6|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	108.6810	0.567	2	108.7622	4.656	4	108.7622	4.656	4	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	108.3852	2.583	4	108.3852	6.674	4	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,3|C<4>,3|O<2>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	107.1350	0.000	2	107.1350	0.000	2	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]C)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.0380	0.000	1	109.0380	0.000	1	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	109.7880	0.000	1	109.7880	0.000	1	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	106.6835	0.273	4	106.6835	0.075	4	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(O[5]C[5])(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	106.5820	0.263	4	106.5820	0.069	4	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	106.8603	0.077	3	107.2325	0.558	4	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	108.3490	0.000	1	107.2325	0.558	4	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]H)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1957	0.413	3	106.1957	0.170	3	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2300	0.000	2	106.2300	0.000	2	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]O[5,5]O[5,6]C[5])(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,5|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	107.6840	0.000	1	107.6840	0.000	1	107.2062	1.836	26	107.4136	2.354	30	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	112.0230	0.000	1	112.0230	0.000	1	112.3285	0.187	2	112.3285	0.187	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HO){1|C<3>,1|C<4>,2|P<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(C[5,5,6]C[5,6]P[5,5]H)(O[5]C[5])(H){1|Pt<4>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	112.6340	0.000	1	112.6340	0.000	1	112.3285	0.187	2	112.3285	0.187	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH){2|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CC)(O[5]C[5])(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	109.1947	2.556	4	109.1947	6.534	4	109.1947	6.534	4	109.1947	6.534	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:3:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]H)(H)2{2|C<4>}	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2{2|C<3>,5|C<4>,8|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	108.7900	0.423	2	108.7900	0.179	2	108.7900	0.179	2	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	106.3115	1.636	2	106.9510	3.031	4	106.9510	3.031	4	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{4|C<4>,8|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	107.5905	2.187	2	106.9510	3.031	4	106.9510	3.031	4	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6]HH)(O[5]C[5])2{3|C<4>,7|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	105.6285	0.858	2	105.6285	0.736	2	105.6285	0.736	2	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O[5]C[5])2{3|C<4>,7|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	108.2035	0.626	2	108.2035	0.392	2	107.0469	2.221	8	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	106.8765	2.214	2	106.8765	4.902	2	107.0469	2.221	8	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(O[5]C[5])2{4|C<4>,6|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	106.5538	1.477	4	106.5538	2.182	4	107.0469	2.221	8	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,6]C[6]O[5]C)(O[5]C[5])2{2|C<3>,7|H<1>}	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(H)2{2|C<4>}	107.4955	0.644	2	107.4955	0.415	2	107.4955	0.415	2	107.1115	2.143	18	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]HH){2|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(O[5]C[5,5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	107.1380	0.638	2	107.1380	0.407	2	107.1380	0.407	2	106.4833	0.935	7	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	107.5790	0.000	1	106.2214	1.001	5	106.2214	1.001	5	106.4833	0.935	7	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	105.7335	1.254	2	106.2214	1.001	5	106.2214	1.001	5	106.4833	0.935	7	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|C<3>,1|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	106.1710	0.000	1	106.2214	1.001	5	106.2214	1.001	5	106.4833	0.935	7	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5]C[5,5,6]HH){1|H<1>,6|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(O[5]C[5,5,6])(H)2{1|O<2>,2|H<1>,7|C<4>}	105.8900	0.000	1	106.2214	1.001	5	106.2214	1.001	5	106.4833	0.935	7	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C[6a]-3:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2{3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	107.9540	1.273	2	107.9540	1.620	2	107.9540	1.620	2	107.9540	1.620	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(O[5]C[5])(COO){4|C<4>,4|H<1>}	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3)	C[5](O[5]C[5,5,6])2(CH3)2	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	110.4085	0.535	2	110.4085	0.287	2	109.7420	0.670	7	109.4320	0.900	9	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|P<4>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[5,5,6])(H)2{1|H<1>,1|P<4>,5|C<4>}	109.4754	0.789	5	109.4754	0.623	5	109.7420	0.670	7	109.4320	0.900	9	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(O[5]C[5,5,6])(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	108.3470	0.390	2	108.3470	0.152	2	108.3470	0.152	2	109.4320	0.900	9	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.0690	0.000	1	110.0690	0.000	1	109.5355	0.569	2	109.5355	0.569	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.0020	0.000	1	109.0020	0.000	1	109.5355	0.569	2	109.5355	0.569	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	2:3:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	O[5]-2:C[6a]-3:C[5]-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){1|Cl<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	110.0253	0.891	3	110.0253	0.794	3	110.0800	0.541	4	110.0800	0.541	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	2:3:4:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	O[5]-2:C[6a]-3:C[5]-4:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){2|Cl<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	110.2440	0.000	1	110.2440	0.000	1	110.0800	0.541	4	110.0800	0.541	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	2:3:4:4:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC)	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|C<4>}	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH)	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5])	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H)	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]2H)(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5,6])(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	110.2200	5.360	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C[5a]-3:H-1:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]HH)(C[5]O[5]O)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	110.2200	5.360	2	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	105.5960	0.000	1	105.4537	0.231	3	105.4537	0.231	3	105.4537	0.231	3	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	O[5](C[5,5,6]C[5,6,6]2C[5])(C[5]O[5]HH){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	105.3825	0.657	2	105.4537	0.231	3	105.4537	0.231	3	105.4537	0.231	3	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	109.7010	0.000	1	109.9355	0.110	2	109.9355	0.110	2	109.9117	0.695	8	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	110.1700	0.000	1	109.9355	0.110	2	109.9355	0.110	2	109.9117	0.695	8	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5]){1|N<3>,3|C<4>,5|H<1>}	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	111.0845	0.346	2	111.0845	0.120	2	111.0845	0.120	2	109.9117	0.695	8	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HO)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	109.3135	0.389	4	109.3135	0.151	4	109.3135	0.151	4	109.9117	0.695	8	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	2:3:2:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	O[5]-2:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<4>,2|C<3>,2|O<2>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,5,6])(H)2{4|C<4>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	107.7470	3.375	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]O[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,9|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(H)2{4|C<4>}	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7470	3.375	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH){1|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)(O[5]C[5]){10|H<1>,1|C<3>,1|C<4>}	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(H)2{1|H<1>,3|C<4>}	106.4535	0.187	2	106.4535	0.035	2	106.4535	0.035	2	107.7470	3.375	4	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[5,5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO)	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5])	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5,6]	C[5]	4:4:	4:4:4:2:	4:2:3:1:	C[5,5,6]-4:C[5]-4:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH){2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5,6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	108.0890	3.265	137	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	2:2:2:2:	4:4:4:2:	C[5,5]-4:C[5,5]-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5](C[5,5]C[5]3)(C[5,5]O[5]3)	C[5,5](O[5]C[5,6a])2(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5])	O[5](C[5,5]C[5]3)(C[5,5]O[5]3){2|C<3>,2|C<4>,6|H<1>}	C[5,5](O[5]C[5,6a])2(O[5]C[5,5])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]HH)(O[5]C[5,5]){2|O<2>,4|H<1>}	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	3:3:3:2:	3:3:3:2:	C[5,5]-4:C[5,5]-4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	O[5](C[5,5]C[5,6a]C[5]N[5])2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5])	O[5](C[5,5]C[5,6a]C[5]N[5])2{1|Pt<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[5]C[5]Pt)(O[5]C[5,5]){1|H<1>,1|N<3>,7|C<3>}	104.5710	0.000	1	104.5710	0.000	1	104.5710	0.000	1	104.5710	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	3:4:2:3:	3:3:2:2:	C[5,5]-4:C[5,5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	3:4:2:3:	3:4:2:1:	C[5,5]-4:C[5,5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	3:4:2:4:	4:4:2:1:	C[5,5]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C){1|C<4>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.9140	0.000	1	110.7953	1.061	3	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	110.5440	0.000	1	110.7953	1.061	3	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	111.9280	0.000	1	110.7953	1.061	3	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	110.8800	0.000	1	111.0772	0.553	6	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	110.4630	0.945	2	111.0772	0.553	6	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)2{2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]2H)(O[5]C[5,5])2(H){2|C<4>,2|O<2>,4|H<1>}	111.5523	0.450	3	111.0772	0.553	6	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)2	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	111.1710	0.519	2	111.1710	0.269	2	111.0174	0.538	11	111.0174	0.538	11	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:4:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|O<1>,2|H<1>,2|O<2>}	108.8840	0.000	1	108.8840	0.000	1	109.4865	0.726	2	109.4865	0.726	2	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:4:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|C<4>,2|H<1>,4|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	110.0890	0.000	1	110.0890	0.000	1	109.4865	0.726	2	109.4865	0.726	2	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:1:	4:4:2:4:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:4:	4:2:2:4:	C[5,5]-4:C[5,5]-4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	O[5](C[5,5]C[3x5,6,6]O[5]C)2	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3)	O[5](C[5,5]C[3x5,6,6]O[5]C)2{2|C<3>,4|C<4>}	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH){1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:2:4:	4:4:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	107.6087	0.570	6	107.6087	0.325	6	107.6087	0.325	6	107.6087	0.325	6	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:2:3:1:	4:2:3:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	O[5](C[5,5]C[5,5]N[5]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	O[5](C[5,5]C[5,5]N[5]H)2{2|C<3>,6|C<4>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	111.7500	0.045	3	111.7500	0.002	3	111.7500	0.002	3	111.7500	0.002	3	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:3:2:2:	3:4:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5]N[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	111.3235	2.361	2	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H){2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])(H){1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	111.3235	2.361	2	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:4:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]CH)(O[5]C[5,5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,4|H<1>}	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){5|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[3x5]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){4|C<4>,4|H<1>}	107.2845	0.534	2	107.2845	0.285	2	107.9850	1.859	9	107.9850	1.859	9	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.0140	1.138	2	108.0140	1.296	2	107.9850	1.859	9	107.9850	1.859	9	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	109.4130	2.332	2	109.4130	5.438	2	107.9850	1.859	9	107.9850	1.859	9	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	107.1835	1.223	2	107.1835	1.495	2	107.9850	1.859	9	107.9850	1.859	9	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5,5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	108.0750	0.000	1	108.0750	0.000	1	107.9850	1.859	9	107.9850	1.859	9	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:2:	4:2:3:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]O[5])2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]O[5])2{1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:2:	4:3:2:1:	C[5,5]-4:C[5,5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2O[5]){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]H)(O[5]C[5,5])(H){1|H<1>,1|O<2>,5|C<4>}	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:2:	4:4:2:2:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]O[5])2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	O[5](C[5,5]C[5,5]C[5]O[5])2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,5]	4:4:	4:4:2:4:	4:2:3:1:	C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(C[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<4>}	109.2835	0.366	2	109.2835	0.134	2	109.2835	0.134	2	109.2835	0.134	2	109.3402	3.504	47	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,5]-4:C[5,6,6]-4:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,3x6]C[6,6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.9230	0.974	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6,6]	4:4:	4:2:2:4:	4:4:2:2:	C[5,6,6]-4:C[5,5]-4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH){1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	108.9230	0.974	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:3:2:3:	3:3:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	109.7620	0.342	2	109.7620	0.117	2	109.7620	0.117	2	109.7620	0.117	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:3:2:4:	4:2:3:4:	C[5,5]-4:C[5,6]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:4:2:2:	4:2:3:3:	C[5,5]-4:C[5,6]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]2){1|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:4:2:3:	3:4:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:4:2:3:	4:2:3:1:	C[5,5]-4:C[5,6]-4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	3:4:2:3:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:1:	4:2:3:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	108.4500	0.286	2	108.4500	0.082	2	108.4500	0.082	2	108.4500	0.082	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|B<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]B[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	106.8473	1.173	7	106.8473	1.376	7	107.1304	1.821	8	107.1304	1.821	8	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	109.1120	0.000	1	109.1120	0.000	1	107.1304	1.821	8	107.1304	1.821	8	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:4:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	109.7870	0.000	1	109.7870	0.000	1	109.6070	0.065	2	109.6070	0.065	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:2:4:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	109.4270	0.000	1	109.4270	0.000	1	109.6070	0.065	2	109.6070	0.065	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:3:2:	4:4:2:4:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:2:3:4:	2:4:2:4:	C[5,5]-4:C[5,6]-4:	C[5,5,6]-4:O[5]-2:N[5]-3:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	108.4180	0.064	2	108.4180	0.004	2	108.4180	0.004	2	108.4180	0.004	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:3:2:2:	4:4:2:4:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:3:2:3:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]O[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:3:2:3:	4:3:2:2:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	106.3020	0.000	1	106.3020	0.000	1	105.0955	2.911	2	105.0955	2.911	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	103.8890	0.000	1	103.8890	0.000	1	105.0955	2.911	2	105.0955	2.911	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:2:3:2:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|O<1>,4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	105.9600	0.983	2	105.9600	0.966	2	105.9600	0.966	2	105.9600	0.966	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,4|H<1>}	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2{3|C<4>,6|H<1>}	107.7160	0.000	1	107.7160	0.000	1	108.0050	0.167	2	106.3364	0.482	27	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])2{3|C<4>,6|H<1>}	108.2940	0.000	1	108.2940	0.000	1	108.0050	0.167	2	106.3364	0.482	27	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	106.4590	0.000	1	106.4590	0.000	1	106.2029	0.264	25	106.3364	0.482	27	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	106.1555	0.687	2	106.1922	0.273	24	106.2029	0.264	25	106.3364	0.482	27	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H){5|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	106.1955	0.526	22	106.1922	0.273	24	106.2029	0.264	25	106.3364	0.482	27	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:3:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	108.5977	1.836	3	108.5977	3.371	3	108.0397	3.493	4	108.0397	3.493	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:3:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){5|C<4>,7|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){1|N<3>,2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	106.3660	0.000	1	106.3660	0.000	1	108.0397	3.493	4	108.0397	3.493	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[6]O[5])(C[5,6]C[5,6]C[6]H){1|C<4>,1|N<3>,4|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	108.6243	0.416	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5]){1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|H<1>,1|O<1>,3|C<4>,3|O<2>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	108.6243	0.416	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6]-4:C[5,5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.5010	0.427	2	108.6243	0.416	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6]-4:C[5,5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	108.0390	0.000	1	108.0390	0.000	1	108.5010	0.427	2	108.6243	0.416	4	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:2:	4:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]O){1|F<1>,5|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:4:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H){2|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:4:	4:2:3:1:	C[5,5]-4:C[5,6]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	108.7400	2.159	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:4:	4:2:3:1:	C[5,6]-4:C[5,5]-4:	C[3x5]-4:C[5]-4:O[5]-2:C-4:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C)	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	108.7400	2.159	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,5]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5,6]	4:4:	4:4:4:2:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H){1|N<3>,5|C<4>,7|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6]){1|N<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	111.4490	0.345	2	111.4490	0.119	2	111.4490	0.119	2	111.4490	0.119	2	107.5820	2.925	74	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	2:2:2:2:	4:2:1:1:	C[5]-4:C[5,5]-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5,5]O[5]3)	C[5,5](O[5]C[5,6a])2(O[5]C[5,5])(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2	O[5](C[5]C[5,5]HH)(C[5,5]O[5]3){2|C<3>,2|C<4>}	C[5,5](O[5]C[5,6a])2(O[5]C[5,5])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5,5])(H)2{2|C<4>,2|O<2>,4|H<1>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	2:2:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]O[5]3)(C[5]C[5]CC)	C[5,5](O[5]C[5,6a])2(O[5]C[5])2	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2	O[5](C[5,5]O[5]3)(C[5]C[5]CC){2|C<3>,2|C<4>}	C[5,5](O[5]C[5,6a])2(O[5]C[5])2{2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2{2|O<2>}	108.4870	0.311	2	108.4870	0.097	2	108.4870	0.097	2	108.4870	0.097	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:2:3:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<3>,1|O<1>,1|O<2>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{1|C<4>,2|P<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,3|C<3>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	111.9303	0.374	3	111.9303	0.140	3	111.5237	0.722	10	111.1957	1.833	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{1|C<4>,2|P<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	111.8930	0.000	1	111.3494	0.918	7	111.5237	0.722	10	111.1957	1.833	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|C<4>,2|H<1>,2|P<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	111.2588	1.016	6	111.3494	0.918	7	111.5237	0.722	10	111.1957	1.833	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5])	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	111.1957	1.833	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-3:C[5,5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5])2(O[5]C[5])2{4|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	105.6545	0.392	2	105.6545	0.154	2	105.6545	0.154	2	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[5,5a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5a]2O[5])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5a]2O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2{2|C<3>,2|S<2>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	107.3936	1.163	7	107.3936	1.353	7	107.3936	1.353	7	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{5|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	107.8775	0.941	4	107.8775	0.885	4	107.8775	0.885	4	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	107.2490	0.000	1	107.6910	0.184	3	106.9829	2.176	15	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	107.7180	0.000	1	107.6910	0.184	3	106.9829	2.176	15	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(H)2{2|C<3>}	108.1060	0.000	1	107.6910	0.184	3	106.9829	2.176	15	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{1|Pd<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	105.7167	1.358	6	106.8058	2.565	12	106.9829	2.176	15	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<3>}	107.8950	0.976	6	106.8058	2.565	12	106.9829	2.176	15	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|O<2>,2|C<3>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	107.2030	1.949	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	105.1250	0.000	1	105.0043	0.011	3	105.0043	0.011	3	105.0043	0.011	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	104.9290	0.000	1	105.0043	0.011	3	105.0043	0.011	3	105.0043	0.011	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	104.9590	0.000	1	105.0043	0.011	3	105.0043	0.011	3	105.0043	0.011	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|S<4>}	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	107.2248	2.397	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	107.2248	2.397	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	106.4490	0.000	1	106.4490	0.000	1	106.6080	0.148	4	107.2248	2.397	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	106.3170	0.000	1	106.6610	0.206	3	106.6080	0.148	4	107.2248	2.397	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,1|O<2>}	106.8330	0.484	2	106.6610	0.206	3	106.6080	0.148	4	107.2248	2.397	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	2:3:1:1:	C[5,5]-4:C[5]-4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	2:3:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:O-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	2:3:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	111.1590	2.032	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	2:3:4:4:	C[5,5]-4:C[5]-4:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	111.1590	2.032	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.9147	1.042	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{3|C<3>}	107.3020	0.000	1	107.3020	0.000	1	107.3020	0.000	1	107.9147	1.042	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2N[5])(C[5]C[5,6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.9147	1.042	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:3:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:C-4:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	108.8280	0.000	1	108.8280	0.000	1	107.8770	5.598	4	109.0104	10.621	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	105.9515	0.252	2	105.9515	0.064	2	107.8770	5.598	4	109.0104	10.621	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	110.7770	0.000	1	110.7770	0.000	1	107.8770	5.598	4	109.0104	10.621	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	109.0104	10.621	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,2|C<4>}	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|C<3>,2|H<1>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	105.7173	2.301	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	105.7540	0.000	1	105.7540	0.000	1	105.7540	0.000	1	105.7173	2.301	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	104.6490	0.175	2	104.6490	0.031	2	105.1733	0.351	7	105.7173	2.301	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	105.1570	0.000	1	105.1570	0.000	1	105.1733	0.351	7	105.7173	2.301	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	105.4395	0.644	4	105.4395	0.414	4	105.1733	0.351	7	105.7173	2.301	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:3:4:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-3:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	C[5,5](C[5,5]C[5,5]N[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	108.0414	0.781	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	108.0414	0.781	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	108.0414	0.781	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.1220	0.000	1	108.1220	0.000	1	108.0475	0.011	2	108.0414	0.781	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.9730	0.000	1	107.9730	0.000	1	108.0475	0.011	2	108.0414	0.781	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|H<1>}	C[5](C[5]C[3x5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,2|C<4>}	106.1110	0.000	1	106.1110	0.000	1	106.1110	0.000	1	106.1833	3.412	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	106.1833	3.412	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,2|H<1>}	104.6160	0.000	2	104.6160	0.000	2	104.6160	0.000	2	106.1833	3.412	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	106.4555	3.443	2	106.4555	11.854	2	106.8317	6.351	3	106.1833	3.412	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	107.5840	0.000	1	107.5840	0.000	1	106.8317	6.351	3	106.1833	3.412	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	105.9890	0.553	2	105.9890	0.306	2	105.9890	0.306	2	107.7865	4.410	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.6090	0.000	1	109.6090	0.000	1	109.5840	0.001	2	107.7865	4.410	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.5590	0.000	1	109.5590	0.000	1	109.5840	0.001	2	107.7865	4.410	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl2)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){2|Cl<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl2)(O[5]C[5])2{1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{2|Cl<1>,1|C<3>,1|O<2>}	109.9370	0.000	1	109.9370	0.000	1	107.8370	2.820	5	107.8178	1.801	13	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	107.3120	1.386	4	107.3120	1.922	4	107.8370	2.820	5	107.8178	1.801	13	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5,6]HH)(O[5]C[5])2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	107.8178	1.801	13	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	108.1573	0.731	4	107.6246	1.414	7	107.6246	1.414	7	107.8178	1.801	13	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>}	106.9143	1.455	3	107.6246	1.414	7	107.6246	1.414	7	107.8178	1.801	13	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O[5]C[5])2{2|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.2214	4.418	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	107.0400	0.279	2	107.0400	0.078	2	107.0400	0.078	2	109.2214	4.418	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	111.5260	0.000	1	111.5260	0.000	1	110.6040	1.700	2	109.2214	4.418	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	109.6820	0.000	1	109.6820	0.000	1	110.6040	1.700	2	109.2214	4.418	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.3160	0.049	2	111.3160	0.002	2	111.3160	0.002	2	111.3160	0.002	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:3:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,2|C<3>}	107.3623	0.712	3	107.3623	0.506	3	107.3623	0.506	3	107.3623	0.506	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	109.5430	0.000	1	109.5430	0.000	1	107.0195	2.836	8	107.0195	2.836	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]N[5,5]CC)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	105.6527	0.570	4	105.6527	0.325	4	107.0195	2.836	8	107.0195	2.836	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,2|C<4>}	107.0850	0.000	1	107.0850	0.000	1	107.0195	2.836	8	107.0195	2.836	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]N[5,5]C[6]C)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.4585	0.944	2	108.4585	0.891	2	107.0195	2.836	8	107.0195	2.836	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:2:4:	4:2:4:1:	C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	2:3:2:2:	C[5,5]-4:C[5]-4:	C[5]-3:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:O-2:O-2:	O[5](C[5,5]C[5]3)(C[5]C[5]OO)	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	O[5](C[5,5]C[5]3)(C[5]C[5]OO){2|O<2>,5|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5]C[5]OO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|O<2>,4|C<3>}	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	2:3:4:1:	C[5,5]-4:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:H-1:	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	106.4445	0.078	2	106.4445	0.006	2	106.4445	0.006	2	106.4445	0.006	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	2:3:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	112.1800	0.174	2	112.1800	0.030	2	112.1800	0.030	2	112.3770	0.132	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	2:3:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.3770	0.132	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	110.0723	0.876	3	110.0723	0.768	3	110.8579	0.850	7	109.9890	2.379	12	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,3|C<3>}	111.4470	0.328	4	111.4470	0.108	4	110.8579	0.850	7	109.9890	2.379	12	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<2>,1|O<1>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	107.4070	0.000	1	108.7726	2.097	5	108.7726	2.097	5	109.9890	2.379	12	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	109.1140	1.421	4	108.7726	2.097	5	108.7726	2.097	5	109.9890	2.379	12	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:2:4:2:	C[5,5]-4:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5a]-3:O[5]-2:C-4:N[5]-2:	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5])	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	3:4:2:3:	C[5,5]-4:C[5]-4:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	C[6a]-3:C[5]-4:O[5]-2:C-3:	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	108.0750	0.000	1	108.0750	0.000	1	107.1765	1.615	2	107.4495	1.508	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|C<3>}	106.2780	0.000	1	106.2780	0.000	1	107.1765	1.615	2	107.4495	1.508	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>}	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	107.4495	1.508	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	107.4495	1.508	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	109.2152	6.486	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){4|C<3>}	109.4110	0.000	1	109.4110	0.000	1	109.9750	0.636	2	109.2152	6.486	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	110.5390	0.000	1	110.5390	0.000	1	109.9750	0.636	2	109.2152	6.486	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	105.5820	0.000	1	105.5820	0.000	1	105.5820	0.000	1	109.2152	6.486	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|Si<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	109.1705	1.893	2	109.1705	3.583	2	109.1705	3.583	2	109.1705	3.583	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2{3|H<1>,4|C<3>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:3:2:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	108.5016	0.784	9	108.5016	0.615	9	108.5016	0.615	9	108.5016	0.615	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:4:2:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|C<3>,1|N<2>,3|C<4>}	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	110.5403	0.435	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:4:2:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	110.9015	0.295	2	110.9015	0.087	2	110.9015	0.087	2	110.5403	0.435	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](O[5]C[5,5])2(H)2{1|C<4>,1|O<2>,2|H<1>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CC[6a]O)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>}	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	108.3029	1.665	10	108.3029	2.772	10	108.3029	2.772	10	108.3029	2.772	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CCl3)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	108.2390	0.515	2	108.2390	0.265	2	108.2070	0.136	3	108.2070	0.136	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CCl3)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	108.1430	0.000	1	108.1430	0.000	1	108.2070	0.136	3	108.2070	0.136	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.7580	0.000	1	111.7580	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[4,5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.5790	0.000	1	108.5790	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.1000	0.253	4	110.1000	0.064	4	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.0220	0.000	1	109.6353	3.335	3	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.2660	0.000	1	109.6353	3.335	3	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.6180	0.000	1	109.6353	3.335	3	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.1510	0.000	1	109.1510	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.6970	0.000	1	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.0680	0.000	1	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.6735	0.388	2	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.5930	0.000	1	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.8970	0.000	1	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.7238	1.063	23	109.8017	1.050	29	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.9330	0.000	1	110.9330	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){3|C<4>}	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.9440	0.000	1	108.9440	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[4,5])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.8790	0.000	1	109.8790	0.000	1	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	108.9960	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.0700	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	108.5540	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	111.6040	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.6501	0.778	8	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.0650	0.549	2	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.4815	0.009	2	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.5897	0.327	3	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.5230	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.2226	1.400	7	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.0530	0.000	1	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.0060	0.437	3	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.9813	0.638	4	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.7663	0.920	79	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.9430	1.196	4	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.8605	1.087	2	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.2878	1.596	5	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.0000	1.605	2	109.7940	1.147	127	109.8026	1.125	169	109.8026	1.125	169	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,3|H<1>}	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[4x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH)	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H)	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[4x5]O[5]H)(C[5]C[5,5]HH){1|H<1>,4|C<4>}	C[5,5](C[4x5]C[3x5]C[5,5]2)(O[5]C[5])2(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,5]C[4x5]C[5]H)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,3|H<1>}	108.0965	3.870	2	108.0965	14.977	2	108.0965	14.977	2	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(O[5]C[5])(H){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.4270	0.982	5	107.4270	0.965	5	107.8994	0.930	15	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	108.4440	0.000	1	108.4440	0.000	1	107.8994	0.930	15	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|H<1>}	108.0077	0.512	7	108.0077	0.263	7	107.8994	0.930	15	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.4290	2.350	2	108.4290	5.524	2	107.8994	0.930	15	107.9609	1.677	18	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	110.6160	0.000	1	110.6160	0.000	1	109.8985	0.420	8	109.8359	0.403	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	110.1034	0.412	5	110.1034	0.170	5	109.8985	0.420	8	109.8359	0.403	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	109.0275	0.128	2	109.0275	0.016	2	109.8985	0.420	8	109.8359	0.403	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H){1|C<3>,1|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(O[5]C[5])2(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.8359	0.403	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCH)(H){2|H<1>,2|O<2>}	109.6980	0.454	2	109.6980	0.206	2	109.6980	0.206	2	109.6980	0.206	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH){1|C<3>,2|C<4>,2|O<2>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5])(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]2O[5])(O[5]C[5])2(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	107.3170	0.000	1	107.3170	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	107.4090	0.000	1	107.4090	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	107.9360	0.000	1	107.9360	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	110.5880	0.000	1	110.5880	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	107.9233	0.789	3	107.9233	0.622	3	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	103.4811	5.671	2	103.4811	32.159	2	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	109.5500	0.000	1	109.5500	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	108.2441	1.522	10	108.2441	2.316	10	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	110.1225	0.308	2	109.1334	1.250	11	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	108.9136	1.119	9	109.1334	1.250	11	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	108.5050	0.000	1	108.5050	0.000	1	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	109.0035	0.380	2	109.0035	0.144	2	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	108.7045	1.216	2	108.7045	1.477	2	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	109.6948	1.762	12	109.6948	3.105	12	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	108.1090	0.958	7	108.1090	0.917	7	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CSnHH)(H){2|H<1>,2|O<2>}	108.9215	0.412	4	108.9215	0.170	4	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|S<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	107.7965	0.917	2	107.7965	0.841	2	108.6023	3.234	61	108.5635	3.176	63	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC){1|H<1>,4|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	105.9725	0.308	4	105.9725	0.095	4	105.9725	0.095	4	108.6780	11.443	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,4|C<4>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	112.2853	0.168	3	112.2853	0.028	3	112.2853	0.028	3	108.6780	11.443	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:2:5:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-5:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CZrCHO)(H){2|H<1>,2|O<2>}	107.8840	0.791	2	107.8840	0.625	2	107.8840	0.625	2	107.8840	0.625	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:3:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.4128	0.625	6	109.4128	0.390	6	109.4128	0.390	6	109.4128	0.390	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	109.1270	0.000	1	109.1270	0.000	1	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.2750	0.000	1	110.2750	0.000	1	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.9140	0.000	1	109.9140	0.000	1	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	109.3380	0.000	1	109.3380	0.000	1	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.1190	0.000	1	110.1190	0.000	1	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.1720	0.738	2	109.5933	1.277	3	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.4360	0.000	1	109.5933	1.277	3	109.6941	0.514	8	109.6941	0.514	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	110.4400	0.000	1	110.4400	0.000	1	109.7097	0.339	4	109.7097	0.339	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	109.9030	0.000	1	109.4663	0.154	3	109.7097	0.339	4	109.7097	0.339	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	109.2480	0.146	2	109.4663	0.154	3	109.7097	0.339	4	109.7097	0.339	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:2:4:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:3:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5,5])(C[5]C[5]O)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:2:4:2:	2:3:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C[5]-4:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.4625	0.162	2	111.4625	0.026	2	111.4625	0.026	2	111.4625	0.026	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]O)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	106.9340	0.000	1	106.9340	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.6645	0.581	4	107.6645	0.337	4	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.9197	0.204	3	107.9197	0.042	3	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	105.4560	0.000	1	105.4560	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8520	0.000	1	107.7830	0.010	2	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.7140	0.000	1	107.7830	0.010	2	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	105.5810	0.000	1	105.5810	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	105.8300	0.000	1	105.8300	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.6680	0.000	1	107.8410	0.060	2	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.0140	0.000	1	107.8410	0.060	2	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.0885	0.180	2	108.0885	0.033	2	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.5000	0.259	3	108.5000	0.067	3	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CCHH)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	108.2430	0.822	3	108.2430	0.676	3	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	107.2490	0.693	2	107.5157	0.453	3	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.0490	0.000	1	107.5157	0.453	3	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	110.7910	0.000	1	110.7910	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]N)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	109.3160	0.000	1	109.3160	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]O)(O[5]C[5])(H){4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	108.1810	0.000	1	108.1810	0.000	1	107.8175	1.165	29	107.8175	1.165	29	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	105.1895	1.563	2	105.1895	2.444	2	105.1895	2.444	2	105.1895	2.444	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]O)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	109.1020	0.000	1	109.1020	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.8480	0.000	1	107.8480	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.4490	0.000	1	110.4490	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.4770	0.000	1	109.4770	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	107.9263	0.884	4	107.9263	0.781	4	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	105.7170	0.000	1	105.7170	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	110.1110	0.000	1	110.1110	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(N[5]N[5]C)(O[5]C[5])(H){1|O<1>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,2|H<1>}	108.4030	0.000	1	108.4030	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{2|H<1>,2|N<3>}	106.2280	0.000	1	106.2280	0.000	1	108.2533	2.180	12	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]N[3x5]H)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|O<2>,4|H<1>}	105.0380	0.000	1	105.0380	0.000	1	105.0380	0.000	1	108.1700	2.955	14	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO)	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]C[5,6,6]HO){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:3:3:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-3:C-3:	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CC){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(CCO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	108.9076	1.033	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(N[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	108.1410	0.000	1	108.1410	0.000	1	108.8190	1.324	4	108.9076	1.033	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	108.5540	0.000	1	108.5540	0.000	1	108.8190	1.324	4	108.9076	1.033	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	109.2905	1.732	2	109.2905	2.999	2	108.8190	1.324	4	108.9076	1.033	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	108.0435	1.266	4	108.0435	1.602	4	108.0435	1.602	4	108.0435	1.602	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	2:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5](O[5]C[5,5])2(CC[6a]O)(H)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	108.8625	1.614	4	108.7453	2.608	10	108.7453	2.608	10	108.7453	2.608	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	2:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5](O[5]C[5,5])2(CC[6a]O)(H)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	109.2270	2.234	2	108.7453	2.608	10	108.7453	2.608	10	108.7453	2.608	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	2:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5](O[5]C[5,5])2(CC[6a]O)(H)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	C[5](O[5]C[5,5])2(CC[6a]O)(H){1|C<3>,1|H<1>,2|O<2>}	108.3872	1.792	4	108.7453	2.608	10	108.7453	2.608	10	108.7453	2.608	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	2:3:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:H-1:	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|H<1>,2|C<4>,2|O<1>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	2:3:4:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:O-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>}	107.5938	1.362	4	107.5938	1.856	4	107.5938	1.856	4	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	109.8770	0.000	1	109.8770	0.000	1	108.7870	2.376	2	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]H)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	107.6970	0.000	1	107.6970	0.000	1	108.7870	2.376	2	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<3>}	108.8340	0.000	1	108.8340	0.000	1	109.5390	0.994	2	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	110.2440	0.000	1	110.2440	0.000	1	109.5390	0.994	2	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5])	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH){1|N<3>,2|H<1>,4|C<4>}	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5]){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<2>}	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	108.2410	2.845	10	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])2{3|H<1>,4|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	107.6720	1.164	2	107.6720	1.355	2	107.6720	1.355	2	107.6720	1.355	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	111.6253	0.199	3	111.6253	0.040	3	111.5028	0.087	4	111.5028	0.087	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5]CH)(C[5]C[5]O)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	111.1350	0.000	1	111.1350	0.000	1	111.5028	0.087	4	111.5028	0.087	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|C<2>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	107.7600	0.000	1	106.7050	0.949	3	106.6393	0.650	4	106.7184	0.519	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	105.8390	0.000	1	106.7050	0.949	3	106.6393	0.650	4	106.7184	0.519	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	106.5160	0.000	1	106.7050	0.949	3	106.6393	0.650	4	106.7184	0.519	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	106.4420	0.000	1	106.4420	0.000	1	106.6393	0.650	4	106.7184	0.519	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[5]H){1|Fe<10>,1|N<3>,3|C<4>,4|C<3>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]2Fe)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	106.7184	0.519	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:3:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]O)(O[5]C[5])(COO){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:3:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|N<3>,2|C<3>}	109.2203	0.548	3	109.2203	0.300	3	109.2203	0.300	3	109.2203	0.300	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.3390	0.000	1	108.3390	0.000	1	108.3558	0.341	6	108.3558	0.341	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.7560	0.000	1	108.7560	0.000	1	108.3558	0.341	6	108.3558	0.341	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.2600	0.709	4	108.2600	0.503	4	108.3558	0.341	6	108.3558	0.341	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<3>,1|O<2>,2|C<4>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.5130	2.263	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|C<3>}	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	109.5130	2.263	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]C)(O[5]C[5,5])(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	109.5130	2.263	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Cr<6>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	113.1460	0.000	1	113.1460	0.000	1	113.4607	0.331	3	113.4607	0.331	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Mo<6>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	113.1110	0.000	1	113.1110	0.000	1	113.4607	0.331	3	113.4607	0.331	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:2:4:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|F<1>,1|W<6>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	114.1250	0.000	1	114.1250	0.000	1	113.4607	0.331	3	113.4607	0.331	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:3:2:	3:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	107.8015	0.189	2	107.8015	0.036	2	107.8015	0.036	2	107.8015	0.036	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:3:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(H)2{2|C<3>,2|N<3>}	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:3:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:3:4:2:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO)	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5])	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	O[5](C[5,5]C[5,5,6]C[5a]C[5])(C[5]C[5,6]HO){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]HH)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(H)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]HH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(H)2{1|C<4>,1|O<2>,2|H<1>}	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CCl3)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	105.6420	0.000	1	105.6420	0.000	1	105.6420	0.000	1	106.5960	0.876	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CCl3)(H)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	107.0730	0.622	2	107.0730	0.387	2	107.0730	0.387	2	106.5960	0.876	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)(OC)	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9680	0.000	1	107.9680	0.000	1	107.5520	0.346	2	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1360	0.000	1	107.1360	0.000	1	107.5520	0.346	2	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[3x5]C[3x5]C[5,5]O[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.5130	0.000	1	108.8657	0.093	3	108.8657	0.093	3	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.0420	0.000	2	108.8657	0.093	3	108.8657	0.093	3	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	109.1020	0.163	2	109.1020	0.026	2	109.1020	0.026	2	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.7890	0.222	4	107.7890	0.049	4	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.7000	0.000	1	109.7000	0.000	1	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<8>,1|H<1>,6|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.1245	0.231	2	106.1245	0.053	2	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.5400	0.000	1	108.9785	4.877	2	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.4170	0.000	1	108.9785	4.877	2	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,1|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.6390	0.000	1	109.6390	0.000	1	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2N[5])(C[5,5]O[5]2H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	106.8540	0.000	1	106.8540	0.000	1	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.2685	0.793	2	107.6257	1.554	3	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|Ru<7>,1|H<1>,6|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.3400	0.000	1	107.6257	1.554	3	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	110.3200	0.000	1	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.1980	0.163	2	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4210	0.000	1	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,2|H<1>,6|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.7200	0.000	1	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|I<1>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4040	0.000	1	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.6770	0.000	1	108.5626	0.706	7	108.1129	1.540	21	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.0690	0.000	1	109.0690	0.000	1	108.8490	0.312	4	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.5360	0.000	1	109.5360	0.000	1	108.8490	0.312	4	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4410	0.000	1	108.3955	0.004	2	108.8490	0.312	4	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.3500	0.000	1	108.3955	0.004	2	108.8490	0.312	4	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	105.7640	0.000	1	105.7640	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9200	0.000	1	107.9200	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	111.4420	0.000	1	111.4420	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[3x6]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	110.9525	0.005	2	110.9525	0.000	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5])(H){1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.3580	0.000	1	108.3580	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.1955	0.227	2	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	111.2100	0.000	1	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	110.0150	0.000	1	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.5680	0.000	1	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.5980	0.000	1	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.2890	0.000	1	108.8673	2.384	7	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.3440	0.000	1	107.3440	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.6928	0.552	5	107.6928	0.304	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	105.4120	0.000	1	105.4120	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.6595	0.235	2	108.6595	0.055	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.1860	0.000	1	108.1860	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.1360	0.000	1	108.6710	1.460	4	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.1827	0.871	3	108.6710	1.460	4	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|N<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.4290	0.000	1	106.4290	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.2120	0.000	1	106.2120	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8350	0.000	1	107.8350	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	111.5340	0.351	2	111.5340	0.123	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]C[6]O[5])(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	108.7780	0.000	1	108.7780	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8660	0.000	1	107.8660	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<2>,1|H<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.3820	0.000	1	107.3820	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HN)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	106.2940	0.000	1	106.2940	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.2613	1.741	3	108.2613	3.030	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.6010	0.000	1	108.5230	2.324	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	107.4450	0.000	1	108.5230	2.324	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	107.0860	0.000	1	107.0860	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]N[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.9480	0.000	1	108.9480	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[3]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.4020	0.310	2	107.4020	0.096	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9100	0.000	1	107.4063	0.288	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1545	0.442	2	107.4063	0.288	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4330	0.000	1	107.1760	3.160	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	105.9190	0.000	1	107.1760	3.160	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	110.1340	0.000	1	110.1340	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.4280	0.000	1	107.4280	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.7610	0.000	1	108.2213	0.677	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.3985	0.979	2	108.2213	0.677	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9115	0.787	2	108.2213	0.677	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1380	0.000	1	108.2213	0.677	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.6735	0.827	4	108.2213	0.677	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.0353	0.493	3	108.0353	0.243	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.2100	0.000	1	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	110.8880	0.000	1	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.3012	2.354	4	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1990	0.000	1	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.7253	1.111	3	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.4030	0.585	2	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<2>,2|C<4>,2|H<1>,2|N<3>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.7530	0.000	1	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1123	0.669	4	107.6874	2.331	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.3460	0.110	2	107.3460	0.012	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.2900	0.000	1	107.3518	0.862	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.0320	0.404	2	107.3518	0.862	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1005	0.687	8	107.3518	0.862	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.3442	0.708	5	107.3518	0.862	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.1010	0.000	1	107.3518	0.862	17	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CO)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.8353	0.703	3	109.8353	0.495	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.1595	0.264	2	108.5404	2.352	13	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	111.9750	0.000	1	108.5404	2.352	13	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.9260	1.623	4	108.5404	2.352	13	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4784	0.314	5	108.5404	2.352	13	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]HH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.6350	0.000	1	108.5404	2.352	13	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.7930	1.670	3	108.7930	2.789	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9370	0.542	2	107.9370	0.293	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.9490	0.000	1	107.3628	1.725	4	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.5007	1.573	3	107.3628	1.725	4	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.7827	0.993	4	107.7338	0.752	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.5380	0.000	1	107.7338	0.752	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]C)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.8255	0.275	2	107.8255	0.076	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.6440	0.000	1	108.2975	3.626	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.9510	0.000	1	108.2975	3.626	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]BrC)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.7510	0.000	1	109.7510	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CCHH)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	109.2087	1.505	3	109.2087	2.264	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3880	0.000	1	107.9246	1.205	24	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9784	1.085	10	107.9246	1.205	24	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9667	1.285	10	107.9246	1.205	24	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.2650	0.509	2	107.9246	1.205	24	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.8220	0.000	1	107.9246	1.205	24	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	109.1870	0.000	1	109.1870	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Br<1>,1|C<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.7700	0.000	1	107.1186	0.819	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.0080	0.694	2	107.1186	0.819	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.0320	0.000	1	107.1186	0.819	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1813	0.465	4	107.1186	0.819	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	106.8215	0.129	2	107.1186	0.819	10	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.4407	1.516	3	108.4407	2.298	3	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.1615	0.653	2	107.8431	1.042	18	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.9283	1.040	16	107.8431	1.042	18	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.4210	0.000	1	107.4210	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	107.2510	0.000	1	108.1138	0.848	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.4927	1.034	3	108.1138	0.848	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	107.8400	0.000	1	108.1138	0.848	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[4,5]HO)(O[5]C[5])(H){4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.7790	0.000	1	107.7790	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.9130	0.000	1	107.9130	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.9254	0.619	5	107.9254	0.383	5	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.9460	0.000	1	108.9460	0.000	1	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]CO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.8423	2.087	4	107.8423	4.357	4	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]ClN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.4340	0.704	2	109.4340	0.496	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	106.4825	0.282	2	106.4825	0.080	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.1803	0.286	3	107.3558	0.938	6	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.5313	1.473	3	107.3558	0.938	6	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.5630	0.615	4	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.4065	1.558	4	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.5231	0.704	8	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<5>,1|H<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.9130	1.351	2	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.1630	1.223	79	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.5010	2.643	2	108.3007	1.634	99	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HS)(O[5]C[5])(H){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.2420	1.157	2	108.2420	1.338	2	108.0915	1.683	324	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.5512	0.555	4	107.5512	0.308	4	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,6]C[5,6]C[6]N)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	106.7990	0.000	1	106.7990	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,6]C[5,6]C[6]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.1080	0.000	1	108.1080	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,6]C[5,6]N[5,6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.7710	0.000	1	108.7710	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.7180	0.000	1	107.7180	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	107.3690	0.000	1	107.3690	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.4003	0.566	6	108.4809	0.275	8	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.7225	0.412	2	108.4809	0.275	8	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.2875	2.172	2	108.0927	1.019	24	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.7940	0.596	10	108.0927	1.019	24	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.7728	1.536	4	108.0927	1.019	24	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.0774	0.897	8	108.0927	1.019	24	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]S[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.4560	0.242	2	107.4560	0.058	2	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.0660	0.000	1	109.0660	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.0523	1.069	3	110.0523	1.142	3	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.0417	1.495	3	107.0417	2.234	3	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,6]N[5a,6]C[6]O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.4600	0.000	1	107.4600	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,6]N[5a,6]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	107.4830	0.000	1	107.4830	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,6]N[6,6a]O[5,6]H)(C[5,5]C[5,6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	108.3970	0.000	1	108.3970	0.000	1	108.1065	1.072	53	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.4290	0.000	1	110.4290	0.000	1	109.2615	2.726	2	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5]N[5a]C[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.0940	0.000	1	108.0940	0.000	1	109.2615	2.726	2	108.1334	1.620	414	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	106.4995	1.252	2	106.4995	1.568	2	106.4995	1.568	2	106.4995	1.568	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	107.5020	0.000	1	107.5020	0.000	1	106.8435	0.867	2	106.9175	1.767	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	106.1850	0.000	1	106.1850	0.000	1	106.8435	0.867	2	106.9175	1.767	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	107.3800	0.000	1	107.3800	0.000	1	106.9545	2.651	4	106.9175	1.767	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	107.3800	0.000	1	107.3800	0.000	1	106.9545	2.651	4	106.9175	1.767	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	106.5290	2.688	2	106.5290	7.228	2	106.9545	2.651	4	106.9175	1.767	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	108.9685	1.128	2	108.9685	1.272	2	109.1515	0.617	4	109.1515	0.617	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	109.3345	0.668	2	109.3345	0.447	2	109.1515	0.617	4	109.1515	0.617	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:2:	C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	104.0585	1.795	2	104.0585	3.223	2	104.0585	3.223	2	105.5020	2.758	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	105.9350	0.728	2	105.9350	0.530	2	106.2237	1.438	4	105.5020	2.758	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6a]O[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	107.8260	0.000	1	107.8260	0.000	1	106.2237	1.438	4	105.5020	2.758	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	3:3:2:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	105.1990	0.000	1	105.1990	0.000	1	106.2237	1.438	4	105.5020	2.758	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,3|H<1>}	104.7970	0.000	1	107.4960	14.569	2	107.4960	14.569	2	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[3x5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[3x5,6]C[6]H)(O[5]C[5,5])(H)2{2|C<3>,2|C<4>,2|H<1>}	110.1950	0.000	1	107.4960	14.569	2	107.4960	14.569	2	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HH){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|N<3>,2|H<1>}	110.0490	0.000	1	110.0490	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	106.2840	0.000	1	106.2840	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	106.6590	0.000	1	106.6590	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HN)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.3940	0.000	1	109.3940	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.7120	0.000	1	107.7120	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.6170	0.000	1	107.6170	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,5|H<1>}	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.8420	0.000	1	109.8420	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<3>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	105.2420	0.000	1	107.9709	2.064	17	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.1414	1.294	16	107.9709	2.064	17	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[5](C[5]C[5,5]OO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.8460	0.000	1	109.8460	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<3>,5|H<1>}	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.5048	3.029	4	108.1130	5.991	6	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|P<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HP)(O[5]C[5])(H){1|P<4>,5|H<1>}	C[5](C[5]C[5,5]HP)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.3295	0.767	2	108.1130	5.991	6	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H)	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,4|N<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]NN)(O[5]C[5])(H){2|N<3>,4|H<1>}	C[5](C[5]C[5,5]NN)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	110.3025	1.253	12	110.3025	1.571	12	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]N[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.6294	0.785	8	109.6294	0.616	8	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|H<1>,4|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]OO)(O[5]C[5])(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.6830	0.000	1	109.6830	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5a]C[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2067	0.210	4	110.2067	0.044	4	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]ClH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.0100	0.000	1	110.0100	0.000	1	108.9960	2.810	57	108.9658	2.919	62	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	109.1650	0.000	1	109.1650	0.000	1	108.9280	0.112	2	107.8670	2.456	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO){1|C<3>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	108.6910	0.000	1	108.6910	0.000	1	108.9280	0.112	2	107.8670	2.456	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H)	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6]O[5]H){1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]O[5]C)(C[5]C[5,6]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	106.8060	1.659	2	106.8060	2.752	2	106.8060	2.752	2	107.8670	2.456	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:2:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:N-3:H-1:	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H)	O[5](C[5,5]C[5,5]2H)(C[5]C[5]HN){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(NOO)(H){1|C<4>,1|O<2>,2|H<1>}	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.4493	2.172	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHO)(H){1|C<4>,1|N<3>,2|H<1>}	107.8490	0.000	1	107.8490	0.000	1	109.3000	4.211	2	109.4493	2.172	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]O)(H){1|C<4>,1|O<2>,2|H<1>}	110.7510	0.000	1	110.7510	0.000	1	109.3000	4.211	2	109.4493	2.172	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	104.7740	0.000	2	104.7740	0.000	2	104.7740	0.000	2	107.9800	6.200	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	111.0265	1.053	2	111.0265	1.109	2	108.6924	4.609	9	107.9800	6.200	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	106.5435	0.585	4	106.5435	0.342	4	108.6924	4.609	9	107.9800	6.200	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	109.9335	0.448	2	109.9335	0.200	2	108.6924	4.609	9	107.9800	6.200	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	110.1380	0.000	1	110.1380	0.000	1	108.6924	4.609	9	107.9800	6.200	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-2:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|C<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN){2|C<4>,2|H<1>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:N-3:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC){2|C<4>,2|H<1>}	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC)	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	111.9864	0.756	7	111.9864	0.571	7	111.9864	0.571	7	109.4104	4.939	20	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.3263	1.692	6	108.3263	2.862	6	108.0233	1.579	13	109.4104	4.939	20	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	107.9468	0.665	6	107.9468	0.442	6	108.0233	1.579	13	109.4104	4.939	20	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	106.6640	0.000	1	106.6640	0.000	1	108.0233	1.579	13	109.4104	4.939	20	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CC){1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2{1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	108.5985	0.004	2	108.5985	0.000	2	108.5985	0.000	2	108.6990	0.030	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.6990	0.030	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5])	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2N[5])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]N[5a]C[5]H)(C[5]O[5]HH)(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(H)2{2|C<3>,2|C<4>}	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	3:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[3,5]C[5,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5])2{10|H<1>,2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	108.0035	0.893	4	108.0035	0.797	4	108.0035	0.797	4	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	111.0300	0.000	1	111.0300	0.000	1	111.2207	0.028	3	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{2|H<1>,2|O<2>,3|C<4>}	111.3160	0.048	2	111.3160	0.002	2	111.2207	0.028	3	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	107.3330	0.000	1	107.3330	0.000	1	108.5693	3.698	3	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	107.5900	0.000	1	107.5900	0.000	1	108.5693	3.698	3	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	110.7850	0.000	1	110.7850	0.000	1	108.5693	3.698	3	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]HH)	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]HH){1|Ru<8>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5,5])(H)2{1|Si<4>,1|O<2>,3|C<4>}	110.9995	1.404	2	110.9995	1.970	2	110.9995	1.970	2	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|O<2>}	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]HH)(O[5]C[5])2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	105.4635	1.471	2	105.4635	2.165	2	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[3x5,6]C[3,5]H)(C[5]C[5,5,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5](C[5,5]C[3x5,6]C[3,5]H)(C[5]C[5,5,6]HH)(O[5]C[5])2{1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.5140	1.822	2	107.5140	3.318	2	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.9160	2.280	2	106.9160	5.197	2	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]RhH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|Rh<6>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]RhH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.8120	1.428	8	106.8120	2.040	8	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|Ru<7>,1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]RuC)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>}	112.1760	0.000	1	112.1760	0.000	1	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.1750	1.508	2	107.3748	1.431	4	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.5745	1.364	2	107.3748	1.431	4	107.1557	3.427	19	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.4760	1.681	8	107.4760	2.825	8	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,1|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.5700	1.039	14	107.8132	1.485	32	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.4282	0.935	4	107.8132	1.485	32	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])2{2|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	108.1664	1.420	14	107.8132	1.485	32	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.7465	2.913	2	106.5323	2.889	4	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.3180	0.033	2	106.5323	2.889	4	107.6355	1.874	44	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5,5]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5]3)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>,6|H<1>}	109.2450	1.854	2	109.2450	3.437	2	109.2450	3.437	2	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.4870	2.212	2	107.4870	4.892	2	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]O[5]CH)(O[5]C[5])2{2|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.9700	2.304	2	106.9700	5.307	2	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	107.9177	1.565	4	107.9177	2.450	4	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.8280	1.041	2	106.8872	1.677	4	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])2{8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,5])(H)2{2|C<4>}	106.9465	1.983	2	106.8872	1.677	4	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]HO)(O[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,2|O<2>}	110.5890	0.000	1	110.5890	0.000	1	107.5941	2.898	13	107.7974	2.935	91	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CCH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	110.2264	1.372	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H)	O[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5,6]CH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(COO)(H){2|H<1>,2|O<2>,3|C<4>}	109.9200	0.000	2	109.9200	0.000	2	109.9200	0.000	2	110.2264	1.372	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{2|C<3>,6|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(COO)(H){2|C<4>}	109.5085	0.271	2	109.5085	0.073	2	109.5085	0.073	2	110.2264	1.372	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH){1|Ru<8>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]Ru)(C[5,5]C[5,5]O[5]H)(O[5]C[5])2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	110.1665	1.643	2	110.1665	2.698	2	110.1665	2.698	2	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	110.8365	0.629	2	110.8365	0.395	2	110.8365	0.395	2	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|Ru<7>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]RuC)(O[5]C[5])2{1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	109.1610	0.000	1	109.1610	0.000	1	108.2527	2.297	3	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])2{1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	107.7985	1.832	2	107.7985	3.357	2	108.2527	2.297	3	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH)	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH){1|O<2>,2|H<1>,5|C<4>}	C[5,5](C[5,6]C[3,6]C[5,6]C)(C[5]C[5,6]HO)(O[5]C[5,6])(O[5]C[5]){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	109.1730	2.004	5	109.1730	4.014	5	108.6709	4.249	8	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	106.5235	0.132	2	106.5235	0.017	2	108.6709	4.249	8	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,1|Cl<1>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2{1|Cl<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	110.4550	0.000	1	110.4550	0.000	1	108.6709	4.249	8	109.1766	3.454	16	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{2|C<4>,2|O<2>}	109.3535	0.404	2	109.3535	0.163	2	109.3535	0.163	2	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){3|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(O[5]C[5,5])(O[5]C[5]){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.0170	0.423	2	111.0170	0.179	2	110.8190	1.170	5	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HO)(O[5]C[5,5])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	108.9800	0.000	1	108.9800	0.000	1	110.8190	1.170	5	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){3|C<4>,5|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.5550	0.000	1	111.5550	0.000	1	110.8190	1.170	5	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	111.5260	0.000	1	111.5260	0.000	1	110.8190	1.170	5	110.5083	1.693	9	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:2:	4:3:3:2:	C[5,5]-4:C[5]-4:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2){1|F<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:3:	2:2:4:2:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5](O[5]C[5,5])2(CH3)(OC)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){1|O<2>,3|C<4>,5|H<1>}	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,5,6]HH)(O[5]C[5])(COO){2|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.4080	0.000	1	108.4080	0.000	1	109.8070	3.914	2	108.7993	2.676	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(COO){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	111.2060	0.000	1	111.2060	0.000	1	109.8070	3.914	2	108.7993	2.676	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){4|C<4>,5|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.7915	0.226	2	107.7915	0.051	2	107.7915	0.051	2	108.7993	2.676	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:3:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-3:	C[6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[6]O[5]H){2|H<1>,6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(CCO){3|C<4>,6|H<1>}	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|C<3>,4|C<4>,5|H<1>}	104.0875	1.456	2	104.0875	2.120	2	104.0875	2.120	2	104.0875	2.120	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	110.6290	0.000	1	110.6290	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	110.1080	0.000	1	110.1080	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.2960	0.000	1	108.2960	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3){2|C<4>,2|H<1>,2|N<3>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	109.2340	0.000	1	109.2340	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.2820	0.000	1	110.2820	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	110.0550	0.000	1	110.0550	0.000	1	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.8960	0.000	1	108.8610	0.002	2	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	108.8260	0.000	1	108.8610	0.002	2	109.5408	0.699	8	109.5408	0.699	8	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	3:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	3:2:4:2:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CO)(O[5]C[5,5])(H)2{1|H<1>,3|C<4>}	106.3680	0.000	1	106.3680	0.000	1	109.5258	4.441	4	109.5258	4.441	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|O<2>,3|C<4>}	110.6740	0.000	1	110.6740	0.000	1	109.5258	4.441	4	109.5258	4.441	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	110.5305	0.112	2	110.5305	0.013	2	109.5258	4.441	4	109.5258	4.441	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	108.5325	1.743	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	C[5](C[6]C[6]2H)(O[5]C[5,5])2(H){1|O<2>,4|H<1>,5|C<4>}	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	108.5325	1.743	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[5,5,6,6]-4:C[5]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O){2|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.3056	0.011	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:2:4:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[3]-4:C[5]-3:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	109.3350	0.095	4	109.3350	0.009	4	109.3350	0.009	4	109.3056	0.011	5	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:2:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:O-2:	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]O[5]C)(O[5]C[5]){1|O<2>,3|C<4>,5|H<1>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.6670	0.000	1	108.1333	0.243	3	108.1333	0.243	3	108.5237	0.240	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5,5]O[5]O)(C[5]O[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8665	0.243	2	108.1333	0.243	3	108.1333	0.243	3	108.5237	0.240	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC)	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.5237	0.240	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](C[5]C[5]HN)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.7890	0.000	1	108.7890	0.000	1	108.8557	0.067	3	108.5237	0.240	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5]HO)(C[5]O[5]HH)(C[5]O[5]O)(O[5]C[5]){1|H<1>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8890	0.358	2	108.8890	0.128	2	108.8557	0.067	3	108.5237	0.240	7	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	2:3:3:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:C[5]-3:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,6|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]2)(C[5]C[5]H)(H){1|H<1>,1|O<1>,5|C<4>}	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	3:2:2:1:	C[5]-4:C[5,5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[6a]-3:O[5]-2:N[5]-2:H-1:	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:N[5]-3:O[5]-2:	C[4,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH)	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5])	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[4,5,6]HH)(C[5]C[5]HH)(N[5]C[5]H)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	107.8227	0.570	4	107.8227	0.325	4	107.8227	0.325	4	107.8227	0.325	4	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	O[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H){2|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	102.1860	0.000	1	102.1860	0.000	1	102.1860	0.000	1	106.3138	17.494	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:N-3:H-1:	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HN)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HN){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(NCO)(H){1|C<3>,1|C<4>,2|H<1>}	111.2860	0.099	2	111.2860	0.010	2	111.2860	0.010	2	106.3138	17.494	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]C[6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[6]C[6]O[6]C)(O[5]C[5,5])(C[5]C[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	103.1750	1.030	2	103.1750	1.060	2	103.1750	1.060	2	106.3138	17.494	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]2H){1|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,6|C<4>}	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	106.3138	17.494	6	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[5]O[5]O)(O[5]C[5]){3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:3:2:	4:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]O)(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	107.1580	0.178	2	107.1580	0.032	2	107.1580	0.032	2	107.1580	0.032	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<1>,5|C<4>,6|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	111.2560	0.000	1	111.4590	0.050	3	111.3898	0.052	4	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,5|C<4>,7|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	111.5605	0.193	2	111.4590	0.050	3	111.3898	0.052	4	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[3x6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[3x6]C[6,6]3)(C[5]O[5]HO)(O[5]C[5]){5|C<4>,8|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	111.1820	0.000	1	111.1820	0.000	1	111.3898	0.052	4	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC){2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HO)(C[6]C[6]2H)(O[5]C[5]){4|C<4>,6|H<1>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5,5]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])	C[5](O[5]C[5,5])2(CH3)2	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5]C[5,5]C[5]O)(C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HO)(C[5]O[5]CH)(O[5]C[5]){1|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.8095	0.411	2	108.8095	0.169	2	109.1174	0.262	5	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	109.5575	0.483	2	109.3227	0.282	3	109.1174	0.262	5	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5]C[5]O[5]H)(C[5]C[5]HO)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	108.8530	0.000	1	109.3227	0.282	3	109.1174	0.262	5	110.1976	1.399	11	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:3:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5]-2:C[5]-3:C-4:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	2:3:4:3:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5]-2:C[5]-3:C-4:C-3:	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5])	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5]C[6]H)(C[5]C[5]HH)2(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[5]-4:C[5,5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5]O[5]H)(C[5,5]C[5]3)	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5])	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5]C[5]O[5]H)(C[5,5]C[5]3){2|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]HO)(O[5]C[5]){4|C<4>,5|H<1>}	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:2:3:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){4|C<4>,6|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)(H){1|H<1>,3|C<4>}	110.9675	0.391	2	110.9675	0.153	2	110.9675	0.153	2	110.9675	0.153	2	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){4|C<4>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	109.5060	1.074	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:2:4:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(O[5]C[5]){1|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.5060	1.074	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:2:4:1:	C[5]-4:C[5,5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3){2|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	109.5060	1.074	3	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	4:4:4:2:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H)	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	O[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,6]C[5]H){3|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,5]	C[5]	4:4:	6:3:3:2:	4:2:1:1:	C[5,5]-4:C[5]-4:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5])	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2	O[5](C[5,5]C[3x3,3x5,12x6]C[5,6a]N[5,5])(C[5]C[5]HH){1|Co<10>,1|C<6>,2|H<1>,3|B<6>,3|C<3>}	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5]){1|O<1>,2|C<3>,5|B<6>,9|H<1>}	C[5](C[5]N[5,5]HH)(O[5]C[5,5])(H)2{1|C<6>,2|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	108.5437	3.065	1344	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:4:3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,5,6,6]-4:O[5]-2:C[5]-4:C[6]-3:	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,6,6]C[6]2){1|O<1>,2|H<1>,3|C<3>,3|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[6,6]C[5])(O[5]C[5,6,6])(C[5]O[5]CH)(C[6]O[6]O){1|O<1>,2|C<3>,4|C<4>}	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6,6]-4:C[5,5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(O[5]C[5,6,6])(C[5]C[5]H)(H){1|O<2>,2|C<4>,4|H<1>}	108.1830	0.000	1	108.1830	0.000	1	108.3430	0.115	4	108.3430	0.115	4	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6,6]-4:C[5,5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.5685	0.366	2	108.3963	0.156	3	108.3430	0.115	4	108.3430	0.115	4	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6,6]-4:C[5,5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.0520	0.000	1	108.3963	0.156	3	108.3430	0.115	4	108.3430	0.115	4	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:2:3:	4:2:2:1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,5]C[5,5,6]O[5]H){2|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])(C[6]C[6]C){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(O[5]C[5,6,6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.4025	0.156	2	109.4025	0.024	2	109.4025	0.024	2	109.4025	0.024	2	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:2:4:	4:2:2:4:	C[5,6,6]-4:C[5,5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C){2|C<3>,3|C<4>,3|O<2>}	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:4:2:	2:4:4:4:	C[5,6,6]-4:C[5,5]-4:	C[4,6,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	O[5]-2:C[5]-4:C[5]-4:C[5]-4:	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5])	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO)	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5]){1|O<2>,5|C<4>,5|H<1>}	C[5,5](O[5]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]C[5]HO){1|O<1>,2|C<4>,4|H<1>}	111.3293	0.730	3	111.3293	0.532	3	111.3293	0.532	3	111.3293	0.532	3	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,5]	4:4:	4:4:4:2:	4:2:2:1:	C[5,6,6]-4:C[5,5]-4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[3x5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H)	O[5](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,5]C[3x5,6]O[5]H){1|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(O[5]C[5,6,6])(O[5]C[5])(H){4|H<1>,7|C<4>}	108.3298	0.220	4	108.3298	0.048	4	108.3298	0.048	4	108.3298	0.048	4	109.2212	1.646	14	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:1:	4:3:2:2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H)	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6,6]C[6,6]2O[5]){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]O[5]O)(C[6,6]C[4,6,6]HH)(O[5]C[5,6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	108.3470	3.256	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6,6]	4:4:	4:4:2:2:	4:3:2:2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[6,6]-4:C[6,6]-3:O[5]-2:O[5]-2:	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5]){1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(O[5]C[5,6,6])2{1|O<2>,3|H<1>,4|C<4>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	108.3470	3.256	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6]	4:4:	2:4:4:2:	4:2:4:2:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O){5|H<1>,6|C<4>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5,6]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	107.7560	0.000	1	107.7560	0.000	1	108.5113	0.439	3	108.5113	0.439	3	108.3500	0.323	6	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6]	4:4:	2:4:4:2:	4:2:4:2:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5,6]C[5,6,6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	108.8890	0.147	2	108.8890	0.022	2	108.5113	0.439	3	108.5113	0.439	3	108.3500	0.323	6	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6]	4:4:	4:4:2:3:	4:2:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6]-4:O[5]-2:C[6]-3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	O[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]C[5,6]O[6]H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.3500	0.323	6	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6]	4:4:	4:4:4:2:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	107.7630	0.000	1	107.7630	0.000	1	107.8855	0.030	2	107.8855	0.030	2	108.3500	0.323	6	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5,6]	4:4:	4:4:4:2:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H)	O[5](C[5,6,6]C[5,6]C[6,6]2)(C[5,6]C[5,6,6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)2(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){2|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[5]C[5,6,6])(C[6]C[6]CC)(H){1|O<1>,3|H<1>,4|C<4>}	108.0080	0.000	1	108.0080	0.000	1	107.8855	0.030	2	107.8855	0.030	2	108.3500	0.323	6	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:2:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	108.5980	0.000	1	108.0077	0.274	3	108.0077	0.274	3	108.0077	0.274	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:2:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	107.7125	0.159	2	108.0077	0.274	3	108.0077	0.274	3	108.0077	0.274	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:3:4:2:	2:3:3:1:	C[5,6,6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	O[5]-2:C[5]-3:C-3:H-1:	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H){1|N<3>,2|C<4>}	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:4:2:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6,6])(H)2{2|C<3>,3|H<1>,4|C<4>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[5]C[5,6,6]HH){1|H<1>,1|O<2>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6,6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	109.9855	0.501	2	109.9855	0.251	2	109.9855	0.251	2	108.5780	2.731	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	106.6980	0.000	1	107.6397	2.035	3	107.6397	2.035	3	108.5780	2.731	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	108.1105	1.655	2	107.6397	2.035	3	107.6397	2.035	3	108.5780	2.731	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5,6,6]-4:C[5]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	107.7140	0.602	2	107.7140	0.363	2	107.7140	0.363	2	107.7140	0.363	2	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:2:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	108.4947	1.734	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:2:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){5|C<4>,6|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,3|C<4>}	107.7360	0.119	2	107.7360	0.014	2	107.7360	0.014	2	108.4947	1.734	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:2:	2:2:1:1:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6]-3:O[6]-2:O[5]-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH)	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5])	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2	O[5](C[5,6,6]C[3x6]C[5,6]O[6])(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6]2H)(C[5,6]C[6]O[5])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](O[5]C[5,6,6])(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:2:	2:3:1:1:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2	C[5](O[5]C[5,6,6])(C[5]O[5]O)(H)2	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O[5]C[5])2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6,6])(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.4665	0.031	2	108.4665	0.031	2	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.3420	0.000	1	108.3420	0.000	1	108.4665	0.031	2	108.4665	0.031	2	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.0345	0.388	2	110.0345	0.151	2	109.4528	0.427	9	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.9360	0.000	1	109.2866	0.399	7	109.4528	0.427	9	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.3930	0.105	2	109.2866	0.399	7	109.4528	0.427	9	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7700	0.000	1	109.2866	0.399	7	109.4528	0.427	9	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:2:4:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.8380	0.741	3	109.2866	0.399	7	109.4528	0.427	9	109.4310	0.384	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:3:4:2:	4:2:2:1:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO){4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	110.1603	1.244	3	110.1603	1.547	3	110.1603	1.547	3	110.1603	1.547	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,3|C<3>,6|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	105.2540	0.000	1	105.2540	0.000	1	105.8035	0.604	2	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6]O[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	106.3530	0.000	1	106.3530	0.000	1	105.8035	0.604	2	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|O<2>,5|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	104.9475	0.937	2	104.9475	0.878	2	106.3320	1.821	5	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]O[6,6]2H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	107.2385	0.117	2	107.2385	0.014	2	106.3320	1.821	5	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	107.2880	0.000	1	107.2880	0.000	1	106.3320	1.821	5	106.1206	1.213	8	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.9730	0.638	2	107.8690	0.236	3	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.6610	0.000	1	107.8690	0.236	3	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.7635	0.472	2	107.7157	0.118	3	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.6200	0.000	1	107.7157	0.118	3	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	106.6285	0.513	2	106.8555	0.156	4	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.0825	0.006	2	106.8555	0.156	4	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.0830	0.000	1	110.0830	0.000	1	107.6599	0.978	11	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.3077	0.460	4	107.3077	0.212	4	107.3077	0.212	4	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,7|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.6600	0.000	1	107.8407	0.255	7	107.8407	0.255	7	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.5830	0.000	1	107.8407	0.255	7	107.8407	0.255	7	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	108.3010	0.000	1	107.8407	0.255	7	107.8407	0.255	7	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,5|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.8353	0.638	4	107.8407	0.255	7	107.8407	0.255	7	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	109.4595	0.807	2	109.4595	0.651	2	107.8673	0.725	13	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.4243	0.458	4	107.4243	0.209	4	107.8673	0.725	13	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.7420	0.445	2	107.7420	0.198	2	107.8673	0.725	13	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,6|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.8815	0.282	2	107.6350	0.268	5	107.8673	0.725	13	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	107.4707	0.628	3	107.6350	0.268	5	107.8673	0.725	13	107.7329	0.640	35	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[4x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	106.0885	0.518	2	106.0885	0.269	2	106.0885	0.269	2	106.0885	0.269	2	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HS){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(SC[6a])(H){1|H<1>,1|O<2>,2|C<4>}	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:N[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]N[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	103.8060	0.000	1	103.8060	0.000	1	103.8060	0.000	1	103.8060	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	O[5](C[5,6,6]C[3x6]C[6,6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,7|H<1>}	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	107.1822	1.472	8	107.1822	2.167	8	107.1822	2.167	8	107.0461	1.770	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	2:4:1:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:H-1:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,6|H<1>}	C[5](O[5]C[5,6,6])(C[5]O[5]HH)(H)2{2|C<4>}	106.5015	0.144	2	106.5015	0.021	2	106.5015	0.021	2	107.0461	1.770	10	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(O[5]C[5,6,6])(H)2{1|C<3>,2|O<2>,4|C<4>}	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	108.3500	4.314	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,3x6]C[6]2)(O[5]C[5,6,6])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	107.1115	1.529	2	107.1115	2.339	2	107.1115	2.339	2	108.3500	4.314	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[5,5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,5,3x6]C[6,6]O)(C[5]C[5,5,6,6]HH){1|H<1>,1|O<2>,5|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(O[5]C[5,6,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	108.3500	4.314	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H)	O[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(COO)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	C[5](O[5]C[5,6,6])2(CH3)2	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	108.9553	0.786	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.5430	0.159	3	108.9553	0.786	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|N<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2{1|N<3>,2|H<1>,4|C<4>}	108.3610	0.000	1	108.3610	0.000	1	108.5430	0.159	3	108.9553	0.786	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	109.0000	0.000	1	109.0000	0.000	1	108.5430	0.159	3	108.9553	0.786	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH){3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,3|O<2>,4|C<4>,7|H<1>}	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	103.7015	0.323	2	103.7733	0.068	3	103.7733	0.068	3	103.7733	0.068	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5]O[5]HH){3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<4>,4|O<2>,6|H<1>}	C[5](O[5]C[5,5,6])(O[5]C[5,6,6])(H)2{4|C<4>}	103.9170	0.000	1	103.7733	0.068	3	103.7733	0.068	3	103.7733	0.068	3	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	107.8990	0.000	1	106.7180	2.790	2	107.1527	2.284	4	107.1527	2.284	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|O<2>,3|C<3>,4|C<4>,7|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	105.5370	0.000	1	106.7180	2.790	2	107.1527	2.284	4	107.1527	2.284	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	108.8730	0.000	1	108.8730	0.000	1	107.1527	2.284	4	107.1527	2.284	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	2:2:3:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C[6a]-3:H-1:	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	106.3020	0.000	1	106.3020	0.000	1	107.1527	2.284	4	107.1527	2.284	4	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(C[5]C[5,6]HH){1|O<2>,2|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5]){5|C<4>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	108.6596	1.038	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH){4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(H)2{1|H<1>,3|C<4>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.6596	1.038	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(H)2{3|H<1>,4|C<4>}	108.0977	0.497	3	108.0977	0.247	3	108.0977	0.247	3	108.6596	1.038	5	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:1:	C[5,6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH){5|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5]){5|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:3:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-3:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO){1|O<2>,2|H<1>,4|C<4>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]C)(C[5,6]C[5,6]HO)(O[5]C[5]){1|O<1>,4|H<1>,4|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	110.2365	0.190	2	110.2365	0.036	2	110.2365	0.036	2	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	110.5620	0.418	3	110.5620	0.175	3	110.5620	0.175	3	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){4|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	109.9790	0.000	1	109.9790	0.000	1	110.9808	0.319	14	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	110.4183	0.147	3	110.4183	0.021	3	110.9808	0.319	14	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CH)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	111.2807	0.500	6	111.2807	0.250	6	110.9808	0.319	14	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	111.2032	0.234	4	111.2032	0.055	4	110.9808	0.319	14	110.8150	0.302	21	108.2203	3.378	136	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:2:	C[5,5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:O[5]-2:	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6])	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,6]C[5,6,6]C[5]C[6]){3|H<1>,9|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5,6]HH)(O[5]C[5,5,6])(C[6]C[6]CH){5|C<4>,5|H<1>,5|O<2>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6]){1|O<2>,4|H<1>,5|C<4>}	109.8805	0.091	2	109.8805	0.008	2	109.8805	0.008	2	109.8805	0.008	2	109.8805	0.008	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:2:2:3:	4:4:2:1:	C[5,6]-4:C[5,5]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H)	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5]O[5]CH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|N<3>}	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:4:2:1:	3:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-3:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){4|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){2|H<1>,5|C<4>}	107.5550	0.058	2	107.5550	0.003	2	107.5550	0.003	2	107.5550	0.003	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:4:2:3:	3:4:4:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-3:C[6]-4:O[5]-2:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2)	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]3){2|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])(C[5]C[5]2){1|O<1>,5|H<1>,6|C<4>}	C[5,5](C[5]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:4:4:2:	4:4:2:3:	C[5,6]-4:C[5,5]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	112.6890	0.000	1	112.6890	0.000	1	112.7760	0.015	2	112.7760	0.015	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	3:4:4:2:	4:4:2:3:	C[5,6]-4:C[5,5]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5,6])(CCO){1|C<3>,1|C<4>,4|H<1>}	112.8630	0.000	1	112.8630	0.000	1	112.7760	0.015	2	112.7760	0.015	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H){1|N<2>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]S[6]H)(C[5,6]C[5,6]N[5])(O[5]C[5,5])(H){2|C<4>,2|O<1>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	110.0930	0.287	2	110.0930	0.082	2	110.0930	0.082	2	110.0930	0.082	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	2:2:2:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	C[5,5](O[5]C[5,6a])2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]O[5]3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	C[5,5](O[5]C[5,6a])2(O[5]C[5,6])2{2|C<3>,2|C<4>,2|H<1>}	105.5070	0.000	1	105.5070	0.000	1	105.5070	0.000	1	105.5845	0.012	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	2:2:2:2:	C[5,6]-4:C[5,5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H)	C[5,5](O[5]C[5,6a])2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]O[5]3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|O<2>}	C[5,5](O[5]C[5,6a])2(O[5]C[5,6])2{2|C<3>,2|C<4>,2|H<1>}	105.6620	0.000	1	105.6620	0.000	1	105.6620	0.000	1	105.5845	0.012	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	3:2:3:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5]C[5,6]C)(O[5]C[5,6])(C[5]C[5]O)(O[5]C[5]){4|C<4>,4|H<1>}	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(H){1|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5,6])(H){1|C<3>,2|H<1>,4|C<4>}	107.1377	0.434	3	107.1377	0.189	3	107.1377	0.189	3	107.1377	0.189	3	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	3:4:2:3:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	106.7125	0.438	2	106.7125	0.192	2	107.4787	1.857	3	107.4787	1.857	3	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	3:4:2:3:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	109.0110	0.000	1	109.0110	0.000	1	107.4787	1.857	3	107.4787	1.857	3	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]2H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|H<1>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	107.8930	0.000	1	107.8930	0.000	1	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.4760	0.000	1	107.5619	0.142	9	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.1670	0.000	1	107.5619	0.142	9	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.6306	0.395	7	107.5619	0.142	9	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	109.2597	1.701	4	109.2597	2.894	4	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	110.3070	0.000	1	110.3070	0.000	1	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	108.8985	0.657	2	108.7550	0.515	4	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.8930	0.000	1	108.7550	0.515	4	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	109.3300	0.000	1	108.7550	0.515	4	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]C[6]H){1|C<4>,1|S<2>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	106.8720	0.000	1	106.8720	0.000	1	108.2594	1.420	20	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[3,6]C[5,6]H)(C[5,5]C[5,5]O[5]H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H)	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]O[5]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[3x5]C[6]O[5])(C[6]C[5,6]CH)(O[5]C[5,5])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(O[5]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.3100	2.031	3	107.3255	2.752	4	107.3255	2.752	4	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5,5]C[5,5]O[5]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	107.3720	0.000	1	107.3255	2.752	4	107.3255	2.752	4	107.9001	1.874	27	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:2:3:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-3:	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO)	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(COO){1|O<2>,2|H<1>,3|C<4>}	107.6535	0.507	6	107.6535	0.257	6	107.6535	0.257	6	107.6535	0.257	6	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,5]C[3x5,6]C[5]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H)	O[5](C[5,5]C[3x5,6]C[5]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(H){4|H<1>,5|C<4>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	108.4665	0.007	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.4665	0.007	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:2:3:2:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	O[5](C[5,5]C[3x5,6]C[5]O)(C[5,6]C[5,6]2H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[3x5,6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H){2|C<4>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:2:	4:2:3:2:	C[5,5]-4:C[5,6]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,4|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]CH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<4>}	107.7330	0.000	1	107.7330	0.000	1	108.5320	1.277	2	108.5320	1.277	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:2:	4:2:3:2:	C[5,5]-4:C[5,6]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5])	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5])	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5])	O[5](C[5,5]C[5]2O[5])(C[5,6]C[6]2O[5]){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)(O[5]C[5,6])(C[5]O[5]O)(O[5]N[5]){1|H<1>,4|C<4>}	109.3310	0.000	1	109.3310	0.000	1	108.5320	1.277	2	108.5320	1.277	2	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:2:	4:2:3:4:	C[5,5]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH)	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O){2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:N[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]N[5])(C[5,5]C[5,5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(N[5]C[5,5])(O[5]C[5,5]){1|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	109.9885	0.981	4	109.9885	0.962	4	109.9885	0.962	4	109.9885	0.962	4	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:3:	4:4:2:2:	C[5,5]-4:C[5,6]-4:	C[6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	O[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5]C[6]2){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5,5]HH)(O[5]C[5,5])(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:4:	4:2:3:2:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5]){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3)	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H)	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,7|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H){4|H<1>,6|C<4>}	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,5]	4:4:	4:4:4:2:	4:3:2:1:	C[5,6]-4:C[5,5]-4:	C[5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H)	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5])	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,5]C[5,6]C[6])(C[5,5]C[5,6]N[3x5]H){3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,3x6]O[5]H)(C[5,5]N[3x5]O[5]H)(C[6]C[6]HH)(O[5]C[5,5]){2|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	107.6153	0.186	3	107.6153	0.035	3	107.6153	0.035	3	107.6153	0.035	3	108.2022	2.607	69	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6,6]	4:4:	4:2:4:4:	4:3:2:2:	C[5,6,6]-4:C[5,6]-4:	C[5]-4:O[5]-2:C[6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	O[5](C[5,6,6]C[5,4x6]C[6,6]O)(C[5,6]C[5]C[6]2){1|O<1>,5|H<1>,6|C<4>}	C[5,6](C[5]C[5,4x6]HH)(O[5]C[5,6,6])(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	108.0357	0.135	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	108.2330	0.000	1	108.2330	0.000	1	108.2475	0.000	2	108.2475	0.000	2	108.0357	0.135	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	108.2620	0.000	1	108.2620	0.000	1	108.2475	0.000	2	108.2475	0.000	2	108.0357	0.135	3	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	4:4:2:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	106.7570	0.000	1	106.7570	0.000	1	106.7415	0.000	2	106.7415	0.000	2	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	4:4:2:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	106.7260	0.000	1	106.7260	0.000	1	106.7415	0.000	2	106.7415	0.000	2	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	4:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	106.3100	0.000	1	106.3100	0.000	1	106.3300	0.015	3	106.3300	0.015	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	4:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	106.3400	0.174	2	106.3400	0.030	2	106.3300	0.015	3	106.3300	0.015	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	2:4:3:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5a]-3:O[5]-2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6])	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6])	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5,6]O[5,6]C[5a]C[6]){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6]){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6])(H){1|H<1>,2|C<3>,7|C<4>}	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	3:4:2:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6,6]C[5,6]H)2	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6,6]C[5,6]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	3:4:4:2:	4:4:2:3:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	112.4660	0.031	2	112.4660	0.001	2	111.7283	1.633	3	111.7283	1.633	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	3:4:4:2:	4:4:2:3:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(O[5]C[5,6])(CCO){1|C<3>,2|C<4>,4|H<1>}	110.2530	0.000	1	110.2530	0.000	1	111.7283	1.633	3	111.7283	1.633	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{1|C<3>,2|C<4>,6|H<1>}	108.1785	0.005	2	108.1785	0.000	2	108.1785	0.000	2	108.1785	0.000	2	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:2:3:3:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|C<4>,4|H<1>}	108.5730	0.800	2	108.5730	0.641	2	108.5730	0.641	2	107.6543	2.852	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[6,6]H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6](C[5,3x6]C[5,6]C[6,6]2)(C[6]C[6]HH)(O[5]C[5,6])(H){2|C<3>,4|C<4>,6|H<1>}	105.8170	0.000	1	105.8170	0.000	1	105.8170	0.000	1	107.6543	2.852	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H)	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	O[5](C[5,6]C[5,5,6,6]C[6]O)(C[5,6]C[5,6]C[6,6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.1460	1.396	2	109.6074	1.826	5	109.6074	1.826	5	109.6074	1.826	5	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.2483	1.482	3	109.6074	1.826	5	109.6074	1.826	5	109.6074	1.826	5	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:2:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.5755	0.067	2	107.5755	0.005	2	107.5755	0.005	2	107.5755	0.005	2	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:3:3:2:	4:3:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	O[5](C[5,6]C[6,6a]2C[5,6])2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	O[5](C[5,6]C[6,6a]2C[5,6])2{10|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[6]H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5,6]C[5]H)(O[5]C[5,6])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	106.8805	0.405	2	106.8805	0.164	2	106.8805	0.164	2	107.2758	0.282	4	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.6710	0.240	2	107.6710	0.058	2	107.6710	0.058	2	107.2758	0.282	4	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	107.9095	0.462	2	107.6008	2.157	10	107.6008	2.157	10	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[6]2O[5])(C[5,6]C[5,6]2H){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	107.5236	1.646	8	107.6008	2.157	10	107.6008	2.157	10	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	106.5657	1.194	10	106.5657	1.425	10	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	107.6090	0.000	1	107.6090	0.000	1	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	105.9928	0.695	4	105.9928	0.483	4	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{1|C<3>,2|C<4>,6|H<1>}	105.4540	0.331	2	106.9714	2.779	13	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	106.7111	1.393	7	106.9714	2.779	13	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]2O[5]){1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5,6])2{3|C<4>,6|H<1>}	108.1855	1.881	4	106.9714	2.779	13	106.7095	1.911	28	107.0255	2.282	39	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	107.4240	0.030	2	107.4240	0.001	2	107.4240	0.001	2	107.4240	0.001	2	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]C[6]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])2	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])2{1|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){2|O<2>,3|H<1>,4|C<4>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:2:2:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O){5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	112.2200	0.117	3	112.2200	0.014	3	112.2200	0.014	3	112.2200	0.014	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:4:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]CH)2(O[5]C[5,6]){4|C<4>,8|H<1>}	111.7440	0.000	1	111.7440	0.000	1	111.0113	0.427	3	111.0113	0.427	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:4:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<2>,3|C<4>,8|H<1>}	110.8000	0.000	1	110.6450	0.048	2	111.0113	0.427	3	111.0113	0.427	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:4:4:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)2(O[5]C[5,6]){1|S<4>,3|C<4>,8|H<1>}	110.4900	0.000	1	110.6450	0.048	2	111.0113	0.427	3	111.0113	0.427	3	108.0540	4.092	86	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	105.8928	0.487	13	106.0021	0.291	15	106.0021	0.291	15	106.0021	0.291	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,2|H<1>}	106.7125	0.240	2	106.0021	0.291	15	106.0021	0.291	15	106.0021	0.291	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	106.8405	0.093	2	106.5094	0.050	9	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|F<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	106.4149	0.136	7	106.5094	0.050	9	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|I<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.7500	0.299	3	106.7500	0.089	3	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.7740	0.000	1	106.7740	0.000	1	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.6355	0.233	2	106.6300	0.035	5	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.6263	0.205	3	106.6300	0.035	5	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	106.9640	0.385	2	106.7877	0.168	6	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.6995	0.447	4	106.7877	0.168	6	106.6452	0.082	24	106.6452	0.082	24	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	107.4520	0.170	3	107.4520	0.029	3	107.4520	0.029	3	107.4520	0.029	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2{3|C<4>}	106.3320	0.000	1	106.3320	0.000	1	106.8705	0.580	2	106.8705	0.580	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	107.4090	0.000	1	107.4090	0.000	1	106.8705	0.580	2	106.8705	0.580	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:4:	4:2:3:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|C<3>,1|O<2>,3|C<4>}	108.2240	0.000	1	108.2240	0.000	1	108.5415	0.202	2	108.5415	0.202	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:4:	4:2:3:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])(COO)(H){1|O<1>,3|C<4>}	108.8590	0.000	1	108.8590	0.000	1	108.5415	0.202	2	108.5415	0.202	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	2:4:2:4:	4:3:2:1:	C[5,6]-4:C[5]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H)	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H){1|H<1>,2|C<4>,3|C<3>}	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	104.2635	0.137	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	104.5330	0.000	1	104.0260	0.151	4	104.0260	0.151	4	104.2635	0.137	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	103.8570	0.236	3	104.0260	0.151	4	104.0260	0.151	4	104.2635	0.137	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|C<3>,3|H<1>}	104.4787	0.344	4	104.4550	0.091	5	104.4550	0.091	5	104.2635	0.137	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,3|C<3>}	104.3600	0.000	1	104.4550	0.091	5	104.4550	0.091	5	104.2635	0.137	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:1:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H){1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	106.2752	0.372	8	106.2752	0.138	8	106.2752	0.138	8	106.2752	0.138	8	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:2:2:	4:2:4:3:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:O[5]-2:C-4:C-3:	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC){1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO){1|O<1>,1|O<2>,2|C<3>}	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:3:2:	3:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6a]-3:O[6]-2:C[6]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2{1|H<1>,1|O<2>,3|C<3>}	111.5200	0.507	3	111.5200	0.257	3	111.5200	0.257	3	111.5200	0.257	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	105.8790	0.000	1	106.1535	0.151	2	106.1535	0.151	2	106.1535	0.151	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<3>}	106.4280	0.000	1	106.1535	0.151	2	106.1535	0.151	2	106.1535	0.151	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:4:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.3550	0.000	1	110.7233	0.371	3	110.7233	0.371	3	110.7233	0.371	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:2:4:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:O[6]-2:C[6]-4:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4075	0.378	2	110.7233	0.371	3	110.7233	0.371	3	110.7233	0.371	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	103.0995	0.258	2	103.0995	0.067	2	104.0087	2.513	3	104.0087	2.513	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|S<4>}	105.8270	0.000	1	105.8270	0.000	1	104.0087	2.513	3	104.0087	2.513	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:1:	4:2:3:3:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(COO)2{1|C<3>,1|C<4>,1|H<1>}	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	2:3:4:4:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:C[6]-3:O[5]-2:O[6]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]HH){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C)(O[5]C[5])(O[6]C[6]){4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	3:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>}	107.5620	2.029	2	107.5620	4.118	2	107.5620	4.118	2	107.6686	3.490	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<3>}	111.0380	0.000	1	111.0380	0.000	1	107.7112	4.197	5	107.6686	3.490	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<3>}	106.8795	0.992	4	106.8795	0.985	4	107.7112	4.197	5	107.6686	3.490	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:2:3:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|S<4>,4|C<3>}	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	2:3:1:1:	C[5,6]-4:C[5]-4:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2{3|C<3>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	2:3:4:1:	C[5,6]-4:C[5]-4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:C-4:H-1:	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	106.2916	0.310	5	106.2916	0.096	5	106.2916	0.096	5	106.2916	0.096	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,4|C<3>}	111.2690	0.438	2	111.3708	0.259	4	111.3708	0.259	4	111.3708	0.259	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,4|C<3>}	111.4725	0.738	2	111.3708	0.259	4	111.3708	0.259	4	111.3708	0.259	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(H)2{3|C<3>}	104.7760	0.438	2	104.7760	0.192	2	104.7760	0.192	2	106.7560	11.857	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5,6])(H)2{1|S<4>,2|C<3>}	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	106.7560	11.857	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:3:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[6]-4:O[5]-2:C[5]-3:H-1:	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	106.0525	1.118	2	106.0525	1.250	2	106.0525	1.250	2	106.0525	1.250	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	104.6590	0.371	2	104.6590	0.137	2	104.6590	0.137	2	104.6590	0.137	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]N[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.7680	0.488	2	108.7680	0.238	2	107.3370	6.262	3	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	104.4750	0.000	1	104.4750	0.000	1	107.3370	6.262	3	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){2|C<3>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.9790	0.000	2	107.9790	0.000	2	108.9470	1.407	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.4020	0.000	1	110.4020	0.000	1	108.9470	1.407	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.4280	0.000	1	109.4280	0.000	1	108.9470	1.407	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.1750	0.424	2	108.1750	0.180	2	107.1552	1.450	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.1355	0.097	2	106.1355	0.009	2	107.1552	1.450	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.2088	1.270	4	108.2088	1.612	4	108.2088	1.612	4	107.9503	2.416	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.9720	0.026	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,2|C<4>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	108.9720	0.026	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	3:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,4|H<1>}	107.9440	1.102	2	107.9440	1.214	2	107.9440	1.214	2	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.4955	0.706	2	109.4955	0.499	2	108.6280	0.865	5	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	108.0540	0.672	2	108.0540	0.451	2	108.6280	0.865	5	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.0410	0.000	1	108.0410	0.000	1	108.6280	0.865	5	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>,3|H<1>}	106.8760	0.000	1	106.8760	0.000	1	106.8633	0.035	3	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	107.0450	0.000	1	107.0450	0.000	1	106.8633	0.035	3	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	106.6690	0.000	1	106.6690	0.000	1	106.8633	0.035	3	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	106.5035	3.016	2	106.5035	9.095	2	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.1930	0.583	2	109.1930	0.339	2	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.3830	1.342	2	107.3226	3.166	14	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	105.8035	1.675	2	107.3226	3.166	14	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	107.4791	1.911	9	107.3226	3.166	14	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	106.8310	0.000	1	107.3226	3.166	14	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	108.8580	0.000	1	108.8580	0.000	1	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	104.8060	0.000	1	104.8060	0.000	1	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	107.9570	1.890	6	107.9570	3.573	6	107.5121	3.479	26	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6,6]C[5,6]O)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	103.1250	0.847	2	103.1250	0.718	2	103.1250	0.718	2	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	105.9000	0.813	2	105.9000	0.661	2	104.1490	4.409	4	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,4|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]N[5,5,6]C[5]C)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	102.3980	0.549	2	102.3980	0.301	2	104.1490	4.409	4	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH)	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,5|H<1>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	104.2340	0.000	1	104.2340	0.000	1	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	103.4700	0.000	2	103.4700	0.000	2	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	106.5645	5.536	2	106.5645	30.647	2	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	104.3825	0.389	4	104.3747	0.256	7	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	105.2130	0.000	1	104.3747	0.256	7	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	103.9400	0.000	2	104.3747	0.256	7	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](C[5]N[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	105.2435	0.692	2	105.2435	0.479	2	104.6724	3.398	14	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	O[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6]Pt)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|Pt<6>,1|O<3>,2|C<4>,2|H<1>}	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	106.6160	5.264	60	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	107.5028	3.552	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH)	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	108.8995	0.180	2	108.8995	0.033	2	108.8995	0.033	2	107.5028	3.552	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	105.6420	0.000	1	105.2850	0.255	2	105.2850	0.255	2	107.5028	3.552	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	104.9280	0.000	1	105.2850	0.255	2	105.2850	0.255	2	107.5028	3.552	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH){1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	107.5028	3.552	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	108.7015	1.777	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.7015	1.777	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C[5](O[5]C[5,6])2(H)2{1|C<3>,1|C<4>,1|O<2>}	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	105.3500	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	108.3910	0.617	2	108.3910	0.380	2	108.3910	0.380	2	108.3910	0.380	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HO){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	110.0080	0.410	2	110.0080	0.168	2	110.0080	0.168	2	110.0080	0.168	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	107.1838	0.654	4	107.1838	0.428	4	107.0867	0.666	20	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5a,6]C[5,6]O[5])(C[5]C[5]HH){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	107.0624	0.869	16	107.0624	0.755	16	107.0867	0.666	20	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	111.7990	0.000	1	109.7875	8.092	2	109.7875	8.092	2	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[5]O[6])(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	107.7760	0.000	1	109.7875	8.092	2	109.7875	8.092	2	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	108.7580	0.000	1	110.9687	6.006	3	110.9687	6.006	3	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	110.5440	0.000	1	110.9687	6.006	3	110.9687	6.006	3	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	113.6040	0.000	1	110.9687	6.006	3	110.9687	6.006	3	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	109.5455	0.118	2	109.4603	0.193	4	109.4603	0.193	4	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	109.3750	0.731	2	109.4603	0.193	4	109.4603	0.193	4	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	108.2245	3.120	2	108.2245	9.737	2	108.2245	9.737	2	108.0610	3.328	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	108.9400	1.359	2	108.9400	1.847	2	109.1172	1.196	6	109.1172	1.196	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	109.4120	1.093	2	109.4120	1.195	2	109.1172	1.196	6	109.1172	1.196	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){1|C<3>,1|C<4>}	108.9995	1.636	2	108.9995	2.675	2	109.1172	1.196	6	109.1172	1.196	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C[5](O[5]C[5,6])2(H)2{1|C<3>,2|C<4>}	105.2520	0.000	1	105.2520	0.000	1	105.2520	0.000	1	105.2520	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,4|C<4>}	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	108.0367	1.488	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,2|H<1>,4|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	108.0367	1.488	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	108.0367	1.488	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	108.0367	1.488	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	107.3130	0.795	2	107.3130	0.632	2	107.3130	0.632	2	108.0367	1.488	6	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:3:2:	2:3:3:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:N-3:H-1:	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]H)(NC[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:3:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6a]-3:C[6]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	107.7427	0.234	3	107.7427	0.055	3	107.7427	0.055	3	107.7427	0.055	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:3:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:4:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6a]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(O[5]C[5]){1|N<3>,2|C<3>,7|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	110.9890	0.939	2	110.9890	0.882	2	110.9890	0.882	2	110.9890	0.882	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:4:2:	3:2:3:1:	C[5,6]-4:C[5]-4:	N[5]-3:C[6]-4:C[6]-4:O[5]-2:	C[6a]-3:O[5]-2:C[5]-3:H-1:	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	110.5410	1.051	2	110.5410	1.104	2	110.5410	1.104	2	110.5410	1.104	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH)	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:4:2:	4:2:2:1:	C[5,6]-4:C[5]-4:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	3:4:4:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH)	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH){1|C<3>,1|N<2>,3|O<2>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(H)2{1|C<4>,1|O<2>,2|H<1>}	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(CH3)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(CH3)(CHH)	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.2500	0.000	1	110.1854	0.507	31	110.1907	0.491	32	110.1907	0.491	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.9403	0.298	3	110.1854	0.507	31	110.1907	0.491	32	110.1907	0.491	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.2102	0.755	27	110.1854	0.507	31	110.1907	0.491	32	110.1907	0.491	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|P<4>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	110.3560	0.000	1	110.3560	0.000	1	110.1907	0.491	32	110.1907	0.491	32	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	3:2:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:O-2:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	105.1142	0.556	4	105.1142	0.309	4	105.1300	0.168	11	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	105.1835	0.598	2	105.1390	0.125	7	105.1300	0.168	11	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[3,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	105.1212	0.312	5	105.1390	0.125	7	105.1300	0.168	11	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<4>}	107.1940	0.000	1	107.0280	0.061	5	107.0280	0.061	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|F<1>,2|C<4>,2|H<1>}	106.7590	0.000	1	107.0280	0.061	5	107.0280	0.061	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	107.1850	0.000	1	107.0280	0.061	5	107.0280	0.061	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	107.0010	0.344	2	107.0280	0.061	5	107.0280	0.061	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>}	109.1935	0.598	2	109.1935	0.357	2	108.6888	0.392	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.8920	0.000	1	107.8920	0.000	1	108.6888	0.392	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.5825	0.206	2	108.5825	0.042	2	108.6888	0.392	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	110.0055	0.569	2	110.0055	0.324	2	109.4462	0.791	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	110.1440	0.000	1	109.0733	0.899	3	109.4462	0.791	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.5380	0.279	2	109.0733	0.899	3	109.4462	0.791	5	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.5670	0.000	1	106.5670	0.000	1	107.0615	0.283	18	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[3,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	107.3950	0.539	9	107.3950	0.290	9	107.0615	0.283	18	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	106.8198	0.175	6	106.8198	0.031	6	107.0615	0.283	18	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.8310	0.000	1	106.8310	0.000	1	107.0615	0.283	18	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	C[5,6](C[6]C[6,6]CH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6]O[5,6]H)(O[5]C[5,6])(H)2{2|H<1>,3|C<4>}	106.2350	0.000	1	106.2350	0.000	1	107.0615	0.283	18	107.0095	2.103	46	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5]-4:O[5]-2:S-2:H-1:	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HS){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(SC)(H){1|O<2>,2|C<4>,4|H<1>}	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.3435	0.164	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HO){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.3435	0.164	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5140	0.889	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	108.4900	1.332	2	108.4900	1.775	2	108.4900	1.775	2	108.5140	0.889	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:2:	2:3:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6])	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)(O[5]C[5])2(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[5](O[5]C[5,6])(C[5]O[5]C)(H)2{1|C<4>,1|O<2>}	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:O[6]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6])	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>}	106.5958	1.090	12	106.5958	1.188	12	106.5958	1.188	12	106.5958	1.188	12	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[4,5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	110.3040	0.236	2	110.3040	0.056	2	110.3040	0.056	2	110.3040	0.056	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.0920	0.000	1	110.0920	0.000	1	110.3717	0.116	4	110.3717	0.116	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	110.4650	0.348	3	110.4650	0.121	3	110.3717	0.116	4	110.3717	0.116	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3)	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH){1|O<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	109.0640	1.014	2	109.0640	1.028	2	109.0640	1.028	2	109.0640	1.028	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	108.0120	0.000	1	108.6895	0.918	2	108.6895	0.918	2	108.2390	1.068	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	109.3670	0.000	1	108.6895	0.918	2	108.6895	0.918	2	108.2390	1.068	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	108.2390	1.068	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:2:4:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	2:4:3:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	O[5]-2:C-4:C[5]-3:C-4:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|H<1>}	107.2795	2.949	2	107.2795	8.699	2	107.2795	8.699	2	107.4444	2.332	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	107.8195	0.344	2	107.8195	0.119	2	107.5543	0.270	3	107.4444	2.332	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	107.0240	0.000	1	107.0240	0.000	1	107.5543	0.270	3	107.4444	2.332	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	110.1060	0.139	2	110.1060	0.019	2	110.2040	0.038	3	110.2040	0.038	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:3:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	110.4000	0.000	1	110.4000	0.000	1	110.2040	0.038	3	110.2040	0.038	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.6550	0.000	1	108.6510	0.000	2	108.6510	0.000	2	108.4132	0.596	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	108.6470	0.000	1	108.6510	0.000	2	108.6510	0.000	2	108.4132	0.596	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	107.6805	0.467	2	107.6805	0.218	2	108.2547	1.098	3	108.4132	0.596	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.4030	0.000	1	109.4030	0.000	1	108.2547	1.098	3	108.4132	0.596	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5])(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,1|H<1>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8777	0.166	3	108.8777	0.027	3	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8410	0.000	1	108.5990	0.117	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.3570	0.000	1	108.5990	0.117	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	105.5450	0.000	1	105.5450	0.000	1	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8035	0.629	2	108.8035	0.395	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.3335	0.200	2	108.3335	0.040	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.4200	0.000	1	109.4200	0.000	1	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	105.8240	0.000	1	105.8240	0.000	1	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.0160	0.216	2	106.0160	0.047	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.2805	0.555	2	107.3326	0.911	7	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3534	1.135	5	107.3326	0.911	7	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.8401	0.351	8	107.8401	0.123	8	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3990	0.404	2	107.3990	0.164	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.5305	1.554	2	107.1070	1.742	5	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.4913	1.313	3	107.1070	1.742	5	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.7690	0.000	1	108.7690	0.000	1	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	104.4270	0.000	1	105.5675	2.601	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.7080	0.000	1	105.5675	2.601	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3257	1.883	3	107.3257	3.545	3	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3620	0.000	1	107.1055	0.132	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.8490	0.000	1	107.1055	0.132	2	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.3745	0.602	2	106.5770	0.176	4	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.7795	0.025	2	106.5770	0.176	4	107.4522	1.421	48	107.4948	1.480	49	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	105.5680	0.000	1	105.5680	0.000	1	105.5680	0.000	1	105.5680	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	107.5240	0.358	2	107.5240	0.128	2	107.5240	0.128	2	107.5240	0.128	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.2000	3.828	2	107.2000	14.656	2	107.2000	14.656	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[5a,6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	109.1510	1.070	3	109.1510	1.146	3	109.1510	1.146	3	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,2|C<3>,3|H<1>}	109.7700	0.000	1	109.6655	0.022	2	109.6655	0.022	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.5610	0.000	1	109.6655	0.022	2	109.6655	0.022	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	107.0020	0.000	1	107.0020	0.000	1	108.4440	4.159	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.8860	0.000	1	109.8860	0.000	1	108.4440	4.159	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])(O[5]C[5])(H){3|O<2>,4|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	109.3655	0.220	2	109.3655	0.048	2	109.3655	0.048	2	108.6261	2.894	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){1|C<3>,2|C<4>,4|H<1>}	107.1750	0.380	2	107.1750	0.145	2	107.1750	0.145	2	106.5067	1.847	8	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	108.2265	0.032	2	108.2265	0.001	2	108.2265	0.001	2	106.5067	1.847	8	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]O[5]2H)(O[5]C[5,6])2(H){2|C<4>,2|H<1>,2|N<3>}	105.3127	0.303	4	105.3127	0.092	4	105.3127	0.092	4	106.5067	1.847	8	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[5]Br)(H){1|C<3>,1|H<1>,2|C<4>}	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	108.6825	0.951	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:O-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.6825	0.951	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.6825	0.951	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.6825	0.951	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	3:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	C[5]-3:O[5]-2:C-4:N-3:	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	111.2345	0.483	2	111.2345	0.233	2	111.2345	0.233	2	111.2345	0.233	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{2|C<3>,2|H<1>,3|C<4>,3|O<2>}	108.0663	0.114	3	108.0663	0.013	3	108.0663	0.013	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.2500	0.000	1	105.2500	0.000	1	107.8463	6.356	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2850	0.000	1	110.2850	0.000	1	107.8463	6.356	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.0040	0.000	1	108.0040	0.000	1	107.8463	6.356	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.4375	0.101	2	109.4375	0.010	2	109.4375	0.010	2	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	108.1598	0.959	4	107.8137	0.724	10	107.8137	0.724	10	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	107.5830	0.769	6	107.8137	0.724	10	107.8137	0.724	10	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]Br)(O[5]C[5])2{1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	109.0105	0.862	8	109.0105	0.743	8	109.0105	0.743	8	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	111.3195	0.268	2	111.4230	0.068	3	111.4230	0.068	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>}	111.6300	0.000	1	111.4230	0.068	3	111.4230	0.068	3	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>}	106.1850	1.522	2	106.1850	2.316	2	106.1850	2.316	2	108.4991	2.455	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	107.7670	0.000	1	107.7670	0.000	1	107.7670	0.000	1	108.1980	0.724	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])2{2|H<1>,6|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	108.4135	1.081	2	108.4135	1.169	2	108.4135	1.169	2	108.1980	0.724	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:3:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.2710	0.000	1	109.2710	0.000	1	108.8848	0.127	6	108.7796	0.183	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.3930	0.000	1	108.3930	0.000	1	108.8848	0.127	6	108.7796	0.183	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.0530	0.000	1	108.9112	0.080	4	108.8848	0.127	6	108.7796	0.183	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.8640	0.326	3	108.9112	0.080	4	108.8848	0.127	6	108.7796	0.183	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[6]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|Pt<6>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.7796	0.183	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	106.7540	0.409	2	106.3771	0.703	12	106.3771	0.703	12	106.3771	0.703	12	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	106.3024	0.303	5	106.3771	0.703	12	106.3771	0.703	12	106.3771	0.703	12	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	106.4895	1.431	4	106.3771	0.703	12	106.3771	0.703	12	106.3771	0.703	12	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	105.5470	0.000	1	106.3771	0.703	12	106.3771	0.703	12	106.3771	0.703	12	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	113.6840	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	3:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5](C[3x5,6]C[3x5,6]C[5,5,6]2)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.6090	1.041	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]O[5,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	108.6090	1.041	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	108.2570	0.000	1	108.2570	0.000	1	109.1845	1.721	2	108.6090	1.041	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	110.1120	0.000	1	110.1120	0.000	1	109.1845	1.721	2	108.6090	1.041	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:2:4:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	107.2160	1.219	2	107.2160	1.486	2	107.2160	1.486	2	107.2160	1.486	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	2:3:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|C<3>,2|C<4>}	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8150	0.783	2	109.8150	0.614	2	109.8150	0.614	2	108.9647	2.476	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	108.9647	2.476	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	4:2:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:O-2:O-2:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]OO){3|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2{2|C<3>,2|H<1>}	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	111.0230	0.560	3	111.0230	0.313	3	110.9363	0.239	4	110.9363	0.239	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:3:3:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	110.6760	0.000	1	110.6760	0.000	1	110.9363	0.239	4	110.9363	0.239	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	104.6570	0.000	1	104.6570	0.000	1	104.6000	0.006	2	105.5024	1.324	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]HH){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(H)2{1|C<4>,1|O<2>,2|H<1>}	104.5430	0.000	1	104.5430	0.000	1	104.6000	0.006	2	105.5024	1.324	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	104.9330	0.000	1	104.9330	0.000	1	106.1040	1.287	3	105.5024	1.324	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	106.1810	0.000	1	106.1810	0.000	1	106.1040	1.287	3	105.5024	1.324	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](O[5]C[5,6])2(H)2{2|C<4>,2|H<1>}	107.1980	0.000	1	107.1980	0.000	1	106.1040	1.287	3	105.5024	1.324	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)(CHH)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	107.3420	0.000	1	107.3420	0.000	1	106.9700	0.277	2	107.1800	0.271	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)(CHH)	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	106.5980	0.000	1	106.5980	0.000	1	106.9700	0.277	2	107.1800	0.271	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)(CHH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.1800	0.271	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|C<4>,5|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.6970	0.243	2	107.9823	0.274	3	107.9823	0.274	3	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.5530	0.000	1	107.9823	0.274	3	107.9823	0.274	3	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.6405	0.535	2	108.6405	0.287	2	107.8980	1.797	3	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.4130	0.000	1	106.4130	0.000	1	107.8980	1.797	3	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[3,6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8250	0.000	1	107.8250	0.000	1	106.3167	0.793	6	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	106.0685	0.626	4	106.0685	0.392	4	106.3167	0.793	6	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	105.8010	0.000	1	105.8010	0.000	1	106.3167	0.793	6	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.7970	0.000	1	106.7970	0.000	1	106.9820	0.068	2	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.1670	0.000	1	107.1670	0.000	1	106.9820	0.068	2	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2950	0.390	2	106.2950	0.152	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.2430	0.000	1	108.2430	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O[5]C)(C[5,6]C[5,6,6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	105.5475	0.145	2	105.5475	0.021	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.7890	0.000	1	105.7890	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.0630	0.197	2	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.5050	0.147	2	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.3913	0.850	3	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2200	0.000	1	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,1|O<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.6200	0.000	1	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.9862	1.278	49	107.7668	1.731	58	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	108.1400	0.000	1	107.1456	0.691	5	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	106.8970	0.714	4	107.1456	0.691	5	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	106.1610	0.000	1	106.3542	0.798	31	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	106.3607	0.908	30	106.3542	0.798	31	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	103.8920	0.000	1	103.8920	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[3x6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	104.9180	0.000	1	104.9180	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O[5])(C[5,6]C[6,6]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	103.8840	0.000	1	103.8840	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5,6]2H)(O[5]C[5])(H){2|O<2>,3|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.6480	0.000	1	109.6480	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.9300	0.000	1	107.1295	6.484	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.3290	0.000	1	107.1295	6.484	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.2510	0.000	1	108.2510	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]2O[5])(O[5]C[5])(H){1|O<1>,1|O<2>,6|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.6700	0.000	1	110.6700	0.000	1	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.3600	0.000	1	109.9155	0.617	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	110.4710	0.000	1	109.9155	0.617	2	107.2387	2.243	110	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.7720	0.000	1	108.7720	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.9880	0.000	1	106.9880	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	105.4350	0.000	1	105.4350	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.0050	0.000	1	107.0050	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.4310	0.000	1	109.4310	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	110.4110	0.000	1	108.3615	8.401	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.3120	0.000	1	108.3615	8.401	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.0550	0.000	1	106.0550	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5a]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	110.2960	0.000	1	110.2960	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.2750	0.000	1	108.2750	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.4620	0.000	1	108.4620	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	105.7780	0.000	1	107.0695	1.191	24	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.8655	1.054	2	107.0695	1.191	24	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.4470	0.000	1	107.0695	1.191	24	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.9215	0.822	2	107.0695	1.191	24	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9927	0.985	18	107.0695	1.191	24	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	111.1450	0.000	1	109.3330	6.567	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.5210	0.000	1	109.3330	6.567	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.8990	0.000	1	109.8990	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	110.5660	0.000	1	109.2826	1.699	26	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.3691	1.129	24	109.2826	1.699	26	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.9220	0.000	1	109.2826	1.699	26	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.6645	1.863	4	109.2548	3.442	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Pt<6>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.6160	0.000	1	109.2548	3.442	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.9375	1.051	2	107.9375	1.106	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|F<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.4650	0.000	1	109.4650	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	110.1610	0.000	1	110.1610	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.4500	0.000	1	105.7968	1.000	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.4945	0.579	2	105.7968	1.000	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.2725	1.422	2	105.7968	1.000	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1970	0.487	4	106.2754	0.773	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1235	1.153	2	106.2754	0.773	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.8310	0.000	1	106.2754	0.773	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.3370	0.000	1	106.2754	0.773	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.2045	0.337	2	105.2045	0.114	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.0960	0.447	2	109.0960	0.200	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.9540	0.035	2	105.9540	0.001	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.3032	1.713	4	108.3032	2.934	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.5610	0.000	1	107.5610	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	108.2580	0.649	2	108.2580	0.421	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.6890	0.000	1	106.6890	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.2600	0.000	1	106.2600	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.4910	0.000	1	106.4910	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Co<9>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CoH)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	106.8380	0.000	1	106.8380	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	105.8700	0.000	1	106.0075	0.038	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.1450	0.000	1	106.0075	0.038	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.5965	0.306	2	107.1637	0.805	6	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.0400	0.000	1	107.1637	0.805	6	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.6710	0.000	1	107.1637	0.805	6	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.0380	0.000	1	107.1637	0.805	6	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	106.0400	0.000	1	107.1637	0.805	6	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	105.8650	0.000	1	105.8650	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]CH)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1970	0.000	1	106.1970	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.5220	0.000	1	106.7305	0.055	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.5390	0.000	1	106.7305	0.055	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|Ir<9>,1|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9305	0.062	2	106.7305	0.055	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.0050	0.000	1	106.6725	0.891	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.3400	0.000	1	106.6725	0.891	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.6505	1.529	2	107.1364	2.146	23	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.6940	1.341	4	107.1364	2.146	23	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.7270	0.000	1	107.1364	2.146	23	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9583	1.571	16	107.1364	2.146	23	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|I<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.4237	1.301	3	107.4237	1.692	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CC)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.0980	0.000	1	106.0980	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2180	0.000	1	106.2180	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(H){7|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.5540	0.000	1	107.5540	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	104.1300	0.000	1	104.1300	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]BrH)(O[5]C[5])(H){1|Br<1>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9760	2.328	2	106.9760	5.419	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.8900	0.018	2	107.8497	0.005	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.7690	0.000	1	107.8497	0.005	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.4880	0.000	1	107.4477	0.707	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CN)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.9275	0.180	2	107.4477	0.707	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.6805	0.383	2	106.4992	0.095	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2610	0.000	1	106.4992	0.095	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.3750	0.000	1	106.4992	0.095	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeC)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.7910	0.000	1	106.7910	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FeH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.6350	0.000	1	106.6350	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8910	0.049	2	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.7400	0.000	1	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.0915	1.060	2	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.4930	0.000	1	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.1780	0.000	1	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.4710	0.000	1	108.2309	2.344	8	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|I<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.4117	0.279	3	107.4117	0.078	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.0140	0.748	2	107.6035	1.504	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.4730	0.000	1	107.6035	1.504	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.9130	0.000	1	107.6035	1.504	4	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CF3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CF3)2{2|C<4>,2|H<1>}	109.1210	0.107	2	109.1210	0.012	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.6615	0.603	2	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.5410	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.6860	0.270	2	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.0520	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.0330	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.5570	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.7940	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.9960	0.348	2	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.9130	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.0690	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.3470	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.8960	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1580	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.8000	1.732	2	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.7460	1.406	3	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.0483	0.427	3	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.8994	0.576	13	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.2600	0.000	1	108.3679	1.138	38	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.2940	0.000	1	108.2940	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]C)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.0460	0.000	1	106.0460	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.6870	0.000	1	105.6425	0.004	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.5980	0.000	1	105.6425	0.004	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.0180	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.4460	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.0190	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.2460	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.0350	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.3580	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.0870	0.000	1	107.1727	3.468	7	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.8690	0.000	1	106.8417	1.772	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.3180	0.000	1	106.8417	1.772	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.3380	0.000	1	106.8417	1.772	3	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6a]S[6]H)(O[5]C[5])(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.8290	0.141	2	108.8290	0.020	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CF3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CF3)2{2|C<4>,2|H<1>}	107.9290	0.198	2	107.9290	0.039	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.4900	0.000	1	106.7490	1.483	14	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.7835	1.496	2	106.7490	1.483	14	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.2990	0.000	1	106.7490	1.483	14	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.5130	0.987	10	106.7490	1.483	14	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.0985	1.002	11	107.2884	0.770	20	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.2940	0.641	2	107.2884	0.770	20	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.6150	0.335	2	107.2884	0.770	20	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.9940	0.000	1	107.2884	0.770	20	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9682	0.424	4	107.2884	0.770	20	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9100	0.000	1	106.9100	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1090	0.665	5	106.1090	0.443	5	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]S[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.8780	0.523	2	105.8780	0.274	2	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	107.1550	0.000	1	107.1550	0.000	1	107.5637	2.241	279	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.8030	0.000	1	108.8030	0.000	1	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.1680	0.000	1	108.1680	0.000	1	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.4210	0.000	1	106.9130	0.450	3	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,6|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.6590	0.716	2	106.9130	0.450	3	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	109.0270	0.000	1	107.5780	4.199	2	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.1290	0.000	1	107.5780	4.199	2	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.2245	0.697	4	107.0466	1.761	9	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	106.9540	0.000	1	107.0466	1.761	9	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	105.1545	0.571	2	107.0466	1.761	9	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	108.6290	0.028	2	107.0466	1.761	9	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.3340	0.000	1	107.3340	0.000	1	107.2717	1.460	17	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6]-4:C[5,6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.4586	2.187	423	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	2:3:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	103.4920	0.000	1	103.4920	0.000	1	103.4920	0.000	1	103.4920	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,3|C<4>}	106.2400	1.377	2	106.2400	1.897	2	106.2400	1.897	2	106.7510	1.732	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	106.7510	1.732	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	108.8085	0.292	2	108.8085	0.085	2	107.9588	0.652	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	107.1150	0.000	1	107.1150	0.000	1	107.9588	0.652	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	107.5610	0.000	1	107.5310	0.002	2	107.9588	0.652	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	107.5010	0.000	1	107.5310	0.002	2	107.9588	0.652	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	102.6190	0.000	1	102.6190	0.000	1	105.2740	8.137	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	103.5400	0.058	2	103.5400	0.003	2	105.2740	8.137	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HS)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	108.9430	0.000	1	108.9430	0.000	1	105.2740	8.137	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	107.7280	0.000	1	107.7280	0.000	1	105.2740	8.137	5	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	106.5259	5.408	11	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:O-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	3:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	105.5300	0.000	1	105.5300	0.000	1	105.5300	0.000	1	105.5300	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[6]O[6]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5,6]O[5]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	110.6470	0.000	1	110.6470	0.000	1	108.2430	3.468	4	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	106.7775	0.226	2	106.7775	0.051	2	108.2430	3.468	4	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	108.7700	0.000	1	108.7700	0.000	1	108.2430	3.468	4	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|C<3>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	108.4433	0.288	3	108.4433	0.083	3	108.4433	0.083	3	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH){2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]3)(O[5]C[5])(H){13|H<1>,1|C<3>,2|C<4>,2|N<3>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	106.5970	1.952	2	106.5970	3.809	2	106.5970	3.809	2	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,3x6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,6,6]2C[6,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	107.5653	0.160	3	107.5653	0.026	3	107.5653	0.026	3	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CC)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{4|C<4>,6|H<1>}	108.0742	0.224	10	108.0742	0.050	10	108.0216	0.076	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,5|H<1>}	107.4960	0.000	1	107.4960	0.000	1	108.0216	0.076	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	109.3250	0.000	2	109.4917	0.083	3	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|Si<4>,3|C<4>,3|H<1>}	109.8250	0.000	1	109.4917	0.083	3	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]2)(O[5]C[5,6])(H)2{1|C<3>,4|C<4>,5|H<1>}	104.3100	0.000	1	104.3100	0.000	1	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	105.3980	0.000	1	105.5610	0.053	2	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5])(H){4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	105.7240	0.000	1	105.5610	0.053	2	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	108.7460	0.226	2	108.7460	0.051	2	107.6749	4.675	8	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<3>,9|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	107.3595	0.815	2	107.3595	0.665	2	107.1876	1.585	5	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	105.3140	0.000	1	107.0730	2.789	3	107.1876	1.585	5	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|N<3>,2|C<4>,9|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	107.9525	0.968	2	107.0730	2.789	3	107.1876	1.585	5	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(H)2{2|H<1>,5|C<4>}	107.6760	0.000	1	107.6760	0.000	1	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	109.1000	0.000	1	109.1000	0.000	1	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,4|H<1>}	108.1480	0.000	1	108.1480	0.000	1	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.0700	0.000	1	108.0700	0.000	1	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	107.6337	0.337	4	107.6337	0.114	4	107.8640	0.327	9	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	108.6865	0.593	2	108.6865	0.352	2	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	108.3145	0.359	2	108.3145	0.129	2	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H)	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>,4|C<3>}	109.8955	0.221	2	109.8955	0.049	2	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	107.8670	0.000	1	107.8670	0.000	1	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	106.7950	0.000	1	106.7950	0.000	1	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.3710	0.000	1	109.3710	0.000	1	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	108.9990	0.000	1	108.9990	0.000	1	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	109.4550	0.000	1	109.4550	0.000	1	108.7527	0.909	11	107.9866	1.464	57	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H)	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H)	O[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]O[5]H){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5,6]C[3,5]C[5,6]C)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CH){3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CN)(H){3|C<4>,4|H<1>}	108.7205	1.234	4	108.7205	1.524	4	108.7205	1.524	4	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	109.5480	0.000	1	109.5480	0.000	1	109.5137	0.477	7	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	109.8130	0.917	3	109.8130	0.840	3	109.5137	0.477	7	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	109.5720	0.000	1	109.5720	0.000	1	109.5137	0.477	7	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	109.0185	0.648	2	109.0185	0.420	2	109.5137	0.477	7	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	107.2010	0.000	1	107.0705	0.034	2	107.0077	0.029	3	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	106.9400	0.000	1	107.0705	0.034	2	107.0077	0.029	3	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	106.8820	0.000	1	106.8820	0.000	1	107.0077	0.029	3	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	110.0270	0.000	1	108.7620	3.200	2	108.7620	3.200	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]2H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	107.4970	0.000	1	108.7620	3.200	2	108.7620	3.200	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]ClC)(C[6]C[5,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	109.8160	0.000	1	109.8160	0.000	1	109.2085	0.738	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	108.6010	0.000	1	108.6010	0.000	1	109.2085	0.738	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC)(H){1|H<1>,3|C<4>}	103.4500	0.000	1	103.4500	0.000	1	103.4500	0.000	1	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	107.4930	0.000	1	107.4930	0.000	1	107.9232	2.405	5	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	108.0820	2.802	2	108.0820	7.849	2	107.9232	2.405	5	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO){1|O<2>,1|S<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	107.9795	1.237	2	107.9795	1.530	2	107.9232	2.405	5	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	104.5510	0.000	1	105.0025	0.408	2	105.0025	0.408	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:S-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HS){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	105.4540	0.000	1	105.0025	0.408	2	105.0025	0.408	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	108.7360	0.000	1	108.7360	0.000	1	109.0460	0.192	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HO){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	109.3560	0.000	1	109.3560	0.000	1	109.0460	0.192	2	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO)	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	108.2019	3.190	31	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,6,6]C[3,6]H)(C[5]C[5,6,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.3247	0.254	3	109.3247	0.064	3	109.3247	0.064	3	108.2495	4.667	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|H<1>,3|C<4>}	105.0240	0.000	1	105.0240	0.000	1	105.0240	0.000	1	108.2495	4.667	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	110.1070	0.000	1	110.1070	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|Si<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|Si<4>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	106.9290	0.000	1	106.9290	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	107.8910	0.000	1	107.8910	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,3|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	110.0770	0.000	1	110.0770	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	107.5980	0.000	1	107.5980	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	110.9040	0.000	1	110.9040	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	110.5620	0.000	1	110.5620	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(O[5]C[5])(H){3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	102.8130	0.000	1	102.8130	0.000	1	108.3601	7.277	8	108.3123	6.388	9	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	108.5130	0.000	1	108.5130	0.000	1	108.1480	0.266	2	107.3380	2.102	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	107.7830	0.000	1	107.7830	0.000	1	108.1480	0.266	2	107.3380	2.102	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	107.3380	2.102	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	110.3762	4.258	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{3|H<1>,4|C<4>}	111.0840	0.091	2	111.0840	0.008	2	111.2632	0.432	4	110.3762	4.258	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	112.2040	0.000	1	112.2040	0.000	1	111.2632	0.432	4	110.3762	4.258	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.6810	0.000	1	110.6810	0.000	1	111.2632	0.432	4	110.3762	4.258	5	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:3:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5]){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[3,6]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	110.3275	0.407	2	110.3275	0.165	2	110.3275	0.165	2	110.3275	0.165	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:3:3:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5]){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	109.3505	0.596	2	109.3505	0.355	2	109.3505	0.355	2	109.3505	0.355	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[3]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]C[5]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,3|H<1>}	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	2:3:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](O[5]C[5,6])(C[5]O[5]H)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,6|H<1>}	C[5](O[5]C[5,6])(C[5]O[5]H)(H)2{2|C<4>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	2:3:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<1>,2|C<4>,5|H<1>}	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|O<2>}	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.9510	0.004	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.9510	0.004	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	3:2:2:4:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6a]-3:O[5]-2:O[5]-2:C-4:	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	3:3:2:3:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5])	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O){2|C<4>,4|C<3>,4|H<1>}	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[3,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[3,6,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9430	0.612	2	107.9430	0.375	2	107.9430	0.375	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	108.5730	0.000	1	108.5730	0.000	1	108.2294	0.102	5	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5,5,6]HH){3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	108.1435	0.294	4	108.1435	0.087	4	108.2294	0.102	5	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,3x6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{2|H<1>,3|O<2>,5|C<4>}	108.5760	0.000	1	108.5760	0.000	1	108.7710	0.076	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,3x6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,3x6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	108.9660	0.000	1	108.9660	0.000	1	108.7710	0.076	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	109.5760	0.000	1	109.5760	0.000	1	108.9170	0.340	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	108.5875	0.168	2	108.5875	0.028	2	108.9170	0.340	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(H)2{1|O<2>,3|C<4>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,5|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.5812	0.303	8	108.5812	0.092	8	108.5812	0.092	8	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]2O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.6095	0.636	2	109.6095	0.404	2	109.6095	0.404	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5,6])(H)2{1|O<2>,4|H<1>,5|C<4>}	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(O[5]C[5,6])(H)2{1|H<1>,2|O<2>,4|C<4>}	108.5470	0.218	2	108.5470	0.047	2	108.6297	0.044	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.7950	0.000	1	108.7950	0.000	1	108.6297	0.044	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,2|O<2>}	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.8705	0.514	2	108.8705	0.264	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6330	2.137	2	107.6330	4.566	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.4015	1.040	4	107.4015	1.082	4	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.5692	1.185	8	106.5692	1.405	8	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.8360	1.711	2	107.8360	2.928	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[5,5,6,6]HH)(O[5]C[5])2{1|O<1>,5|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.4220	0.293	2	108.4220	0.086	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O[5]C[5])2{1|O<1>,4|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9630	0.515	2	107.9630	0.265	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.0945	0.842	2	106.0945	0.709	2	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.5450	0.349	2	108.2438	1.183	4	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])2{4|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9425	1.750	2	108.2438	1.183	4	107.4562	1.654	28	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	110.0110	0.000	1	110.0110	0.000	1	109.6585	0.249	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|O<2>}	109.3060	0.000	1	109.3060	0.000	1	109.6585	0.249	2	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<2>,4|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.3535	0.388	2	107.3535	0.151	2	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.7880	0.180	2	107.7880	0.032	2	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.7157	1.253	4	107.9249	1.092	10	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.0643	0.983	6	107.9249	1.092	10	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{10|H<1>,2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6460	0.968	4	107.6594	0.894	8	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,3|C<3>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6765	1.234	2	107.6594	0.894	8	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6690	1.387	2	107.6594	0.894	8	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6]3)(C[6]C[6]HH)(O[5]C[5])2{11|H<1>,1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9560	1.744	2	107.9560	3.041	2	107.7800	0.872	24	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH){1|Fe<7>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.4185	1.135	2	107.4185	1.288	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.1318	0.953	6	107.1318	0.908	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[3x6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.2220	1.957	2	107.2220	3.831	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[4,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.3430	0.420	2	108.3430	0.176	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.2485	0.333	2	107.6498	0.633	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.8505	0.926	4	107.6498	0.633	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.4970	0.552	2	107.4970	0.304	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.2858	1.141	4	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.1410	0.706	2	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6252	1.107	6	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6735	1.341	2	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.0935	1.996	2	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.7868	1.033	10	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.3127	0.881	6	107.4517	1.133	32	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5])2{2|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.1465	0.739	2	107.1465	0.546	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.7000	0.000	1	107.7000	0.000	1	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,2|C<4>,9|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.1885	2.094	2	108.1885	4.384	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.9650	1.471	4	106.9650	2.165	4	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.4588	0.631	4	107.6668	0.465	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.0830	0.781	2	107.6668	0.465	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	109.1970	1.664	4	109.1970	2.768	4	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.8632	1.445	10	107.5735	1.671	22	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|O<2>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.5325	1.657	2	107.5735	1.671	22	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.4355	0.438	2	107.5735	1.671	22	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.8305	0.222	4	107.5735	1.671	22	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.1817	1.425	4	107.5735	1.671	22	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.4500	1.229	2	107.9027	1.006	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{1|P<4>,4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.3055	0.438	2	107.9027	1.006	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6,6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.9525	0.015	2	107.9027	1.006	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.5135	2.057	2	108.4283	2.511	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|N<3>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	109.8165	0.248	2	108.4283	2.511	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9550	1.512	2	108.4283	2.511	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	106.2010	0.543	3	106.2010	0.295	3	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.1130	1.120	2	107.9705	1.161	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.3992	0.884	4	107.9705	1.161	6	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.0100	1.230	2	108.0180	2.114	4	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[6]CH)2(O[5]C[5])2{1|S<2>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	109.0260	0.874	2	108.0180	2.114	4	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|N<2>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)(C[6]C[6]HN)(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	104.3620	1.844	2	104.3620	3.401	2	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<2>,3|C<4>}	106.4620	0.000	1	106.4620	0.000	1	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	108.0250	0.000	1	108.1193	8.803	11	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	106.9597	1.002	6	108.1193	8.803	11	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(H)2{2|C<4>}	109.8822	4.564	4	108.1193	8.803	11	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9990	1.097	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,1|S<1>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.1425	0.466	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.9570	0.396	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<2>,1|N<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	106.8010	1.772	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.3325	1.589	4	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.8792	1.067	4	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.0288	1.097	4	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6788	1.021	6	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.1543	1.216	8	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.0605	2.000	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|N<3>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.2231	0.883	8	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.6125	0.114	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|P<3>,4|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	107.3140	1.298	2	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	108.4488	0.776	4	107.4543	1.123	52	107.5671	1.854	184	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5,6](C[6]C[6]CC)(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	111.4815	0.022	2	111.4815	0.000	2	111.1960	0.245	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:S[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5])	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])(S[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5,6])(H)2{2|C<4>}	110.6250	0.000	1	110.6250	0.000	1	111.1960	0.245	3	107.7495	1.829	272	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	O[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]HO){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCH)(H){1|O<2>,3|C<4>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.9340	0.877	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(COO)(H){2|C<4>}	109.6920	0.030	2	109.6920	0.001	2	109.0510	1.233	3	108.9340	0.877	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHN)(H){2|C<4>}	107.7690	0.000	1	107.7690	0.000	1	109.0510	1.233	3	108.9340	0.877	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	108.7050	0.000	1	108.7050	0.000	1	110.2940	5.050	2	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	111.8830	0.000	1	111.8830	0.000	1	110.2940	5.050	2	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[5]C[5])2{5|C<4>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	107.5875	1.723	2	107.5875	2.969	2	107.6573	1.513	4	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,4|C<4>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	107.7270	1.245	2	107.7270	1.549	2	107.6573	1.513	4	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	109.2210	0.108	3	109.2210	0.012	3	108.0870	2.277	19	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	108.9335	1.392	2	108.9335	1.938	2	108.0870	2.277	19	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	107.9545	1.400	4	107.9545	1.961	4	108.0870	2.277	19	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	108.4393	1.693	4	108.4393	2.867	4	108.0870	2.277	19	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	107.0913	1.596	6	107.0913	2.546	6	108.0870	2.277	19	108.3271	2.547	28	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.5005	0.176	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5,6]HO)(O[5]C[5])(CC){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.5005	0.176	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5]-4:C[5]-4:O[5]-2:C-4:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C){1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	109.8050	1.021	2	109.8050	1.043	2	109.8050	1.043	2	110.6240	1.242	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:2:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[6]-4:C[5]-4:O[5]-2:C-4:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	111.4430	0.017	2	111.4430	0.000	2	111.4430	0.000	2	110.6240	1.242	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(COO){1|H<1>,1|O<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.7450	0.014	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|Co<9>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CoH)(O[5]C[5])(COO){2|H<1>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.7450	0.014	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,3x6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,3x6]HH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	108.7560	0.348	2	108.7560	0.121	2	108.7560	0.121	2	108.7560	0.121	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:2:3:1:	C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[5,5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H)	O[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[5,5,6]CH){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5,6])(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:2:3:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[5]-2:C-3:O-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{1|C<3>,2|C<4>,4|H<1>}	111.3130	0.000	1	111.3130	0.000	1	110.7760	0.577	2	110.7760	0.577	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	110.2390	0.000	1	110.2390	0.000	1	110.7760	0.577	2	110.7760	0.577	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:3:	4:4:4:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(COO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,1|C<3>,2|C<4>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	110.2260	0.188	2	110.2260	0.035	2	110.2260	0.035	2	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	109.4970	0.000	2	109.4970	0.000	2	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.3980	0.000	1	110.3980	0.000	1	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	110.0475	0.547	2	110.0475	0.299	2	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.3860	0.000	1	109.3860	0.000	1	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.2610	0.000	1	109.2610	0.000	1	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.3590	0.000	1	109.3590	0.000	1	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	108.9670	0.000	1	108.9670	0.000	1	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.4140	0.000	1	109.4237	0.136	3	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.7970	0.000	1	109.4237	0.136	3	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.0600	0.000	1	109.4237	0.136	3	109.5609	0.211	12	109.6462	0.224	15	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	110.8840	0.000	1	110.6803	0.100	3	110.6803	0.100	3	110.6803	0.100	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	110.5785	0.371	2	110.6803	0.100	3	110.6803	0.100	3	110.6803	0.100	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	3:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|C<3>,3|C<4>,3|H<1>}	108.1920	0.000	1	108.1920	0.000	1	107.9985	0.075	2	108.5880	1.080	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,5|C<4>}	107.8050	0.000	1	107.8050	0.000	1	107.9985	0.075	2	108.5880	1.080	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(H)2{1|H<1>,3|C<4>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	108.5880	1.080	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.3180	0.372	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	109.3180	0.372	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-2:C-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2{3|C<4>,4|H<1>}	110.4620	0.000	1	110.4620	0.000	1	110.0935	0.272	2	110.0935	0.272	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-2:C-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC)2{3|C<4>,4|H<1>}	109.7250	0.000	1	109.7250	0.000	1	110.0935	0.272	2	110.0935	0.272	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:3:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-3:C-3:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCH)2{3|C<4>,4|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	110.0635	0.060	2	110.0635	0.004	2	110.0635	0.004	2	110.0635	0.004	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:3:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-3:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2{3|C<4>,4|H<1>}	109.7635	0.858	2	109.7635	0.736	2	110.7389	0.301	16	110.7389	0.301	16	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	110.7955	0.013	2	110.7955	0.000	2	110.7389	0.301	16	110.7389	0.301	16	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.7389	0.301	16	110.7389	0.301	16	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	111.1326	0.105	8	111.1326	0.011	8	110.7389	0.301	16	110.7389	0.301	16	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{3|C<4>,4|H<1>}	110.3723	0.223	3	110.3723	0.050	3	110.7389	0.301	16	110.7389	0.301	16	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:3:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5]){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	111.2085	0.415	2	111.2085	0.172	2	111.2085	0.172	2	111.2085	0.172	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:4:4:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,3|C<4>}	110.5950	0.197	2	110.5950	0.039	2	110.5950	0.039	2	110.6540	0.030	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:2:4:	4:4:4:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[4]-4:C[4]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2){1|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6]){12|H<1>,5|C<4>}	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.6540	0.030	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	2:3:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](O[5]C[5,6])(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	109.6742	0.861	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	109.8423	0.369	8	109.8423	0.136	8	109.8423	0.136	8	109.6742	0.861	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(O[5]C[5]){2|C<4>,7|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>}	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	109.6742	0.861	10	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:3:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	110.9070	0.280	2	110.9070	0.078	2	110.9070	0.078	2	110.9070	0.078	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5])	C[5](O[5]C[5,6])2(CH3)2	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]O[6]H)(O[5]C[5]){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.0335	0.009	2	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	108.9670	0.000	1	108.9670	0.000	1	109.0335	0.009	2	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	110.1190	0.000	1	110.4220	0.184	2	110.4220	0.184	2	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	110.7250	0.000	1	110.4220	0.184	2	110.4220	0.184	2	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	2:2:4:4:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5])	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6]C[5]O[6]H)(C[5]O[5]CH)(C[6]O[6]HH)(O[5]C[5]){1|Si<4>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	109.4393	0.543	7	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	3:2:1:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5])	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]2H)(C[6]C[6]HH)2(O[5]C[5]){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,4|C<4>}	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	3:4:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>}	108.9270	0.000	1	108.9270	0.000	1	109.4410	0.528	2	109.6432	0.281	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.9550	0.000	1	109.9550	0.000	1	109.4410	0.528	2	109.6432	0.281	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	109.8455	0.390	2	109.8455	0.152	2	109.8455	0.152	2	109.6432	0.281	4	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[3,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO)	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	O[5](C[5,6]C[3,6]2C[5])(C[5]C[5]HO){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3985	0.013	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.3985	0.013	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:4:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	112.7365	0.211	2	112.7365	0.045	2	112.7365	0.045	2	112.7365	0.045	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5])	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO){4|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)2(O[5]C[5]){1|O<2>,4|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	111.5995	0.161	2	111.5995	0.026	2	111.5995	0.026	2	111.6523	0.021	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:4:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO){1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.6523	0.021	3	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,5|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	112.7850	0.000	1	112.7850	0.000	1	112.8510	0.009	2	112.8510	0.009	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5,6]	C[5]	4:4:	4:4:4:2:	4:2:4:4:	C[5,6]-4:C[5]-4:	C[6,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5]){5|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	112.9170	0.000	1	112.9170	0.000	1	112.8510	0.009	2	112.8510	0.009	2	107.8721	3.184	1521	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5,6]	4:4:	4:2:2:1:	4:3:2:2:	C[5,5,6]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:O[5]-2:	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O[5]H)	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H)	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2	O[5](C[5,5,6]C[5,6]2O[5])(C[5]C[5]O[5]H){1|H<1>,2|C<3>,5|C<4>}	C[5](C[5]C[3,5]C[5]C)(O[5]C[5,5,6])(O[5]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(O[5]C[5])2{1|O<1>,3|H<1>,5|C<4>}	105.0270	0.000	1	105.0270	0.000	1	105.0270	0.000	1	105.0270	0.000	1	106.8165	6.405	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]N[6a]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,4|H<1>}	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	106.8165	6.405	2	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:2:3:1:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	110.5645	0.494	2	110.5645	0.244	2	110.1970	0.527	3	110.1970	0.527	3	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:2:3:1:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	109.4620	0.000	1	109.4620	0.000	1	110.1970	0.527	3	110.1970	0.527	3	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:2:3:3:	3:4:2:2:	C[5,5]-4:C[5]-4:	C[6a]-3:O[5]-2:C[5]-3:C-3:	N[5]-3:C[5]-4:N[5]-2:O[5]-2:	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5])	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:3:3:2:	3:3:2:2:	C[5,5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[5,5](C[5]C[5]H)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5]H)2(O[5]C[5])2{2|Br<1>,4|C<3>}	109.7620	0.286	2	109.7620	0.082	2	109.7620	0.082	2	109.7620	0.082	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.6940	0.856	2	108.3175	2.823	4	108.3175	2.823	4	108.0975	7.193	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.9410	0.399	2	108.3175	2.823	4	108.3175	2.823	4	108.0975	7.193	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.6575	5.188	2	107.6575	26.916	2	107.6575	26.916	2	108.0975	7.193	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:4:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[5a]C[5]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,5|H<1>}	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	3:4:2:1:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H)	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(O[5]C[5])2(H){1|O<1>,3|C<3>,5|H<1>}	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6,6]HH){1|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(O[5]C[5])2(H){4|C<4>,4|H<1>}	108.0060	0.000	1	108.0060	0.000	1	108.7470	1.098	2	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]HH){1|C<3>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.4880	0.000	1	109.4880	0.000	1	108.7470	1.098	2	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,7|H<1>}	107.1120	0.000	1	106.9953	0.246	3	107.4570	0.533	5	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	106.9370	0.687	2	106.9953	0.246	3	107.4570	0.533	5	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<2>,7|H<1>}	108.1495	0.197	2	108.1495	0.039	2	107.4570	0.533	5	107.7573	0.829	9	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:3:2:4:	C[5,5]-4:C[5]-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	109.6545	0.640	2	109.6545	0.410	2	110.4360	2.037	3	109.5917	1.825	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	111.9990	0.000	1	111.9990	0.000	1	110.4360	2.037	3	109.5917	1.825	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{8|H<1>}	108.6720	0.861	2	108.6720	0.742	2	108.7473	0.388	3	109.5917	1.825	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:1:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	108.8980	0.000	1	108.8980	0.000	1	108.7473	0.388	3	109.5917	1.825	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO){2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	109.6775	0.132	2	109.6775	0.017	2	109.6775	0.017	2	109.6775	0.017	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HO){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,5|H<1>}	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:3:1:	3:3:3:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	O[5](C[5,5]N[5]3)(C[5]C[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H)	C[5,5](N[5]C[5]C)3(O[5]C[5])	O[5](C[5,5]N[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5,5])(CBrC)(H){1|C<4>,2|N<3>}	C[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:3:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,2|C<3>,4|H<1>}	107.6560	0.000	1	107.6560	0.000	1	109.1570	4.506	2	109.1570	4.506	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:3:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|O<1>,5|H<1>}	110.6580	0.000	1	110.6580	0.000	1	109.1570	4.506	2	109.1570	4.506	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:3:1:	4:4:3:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	O[5](C[5,5]C[5]3)(C[5]C[5]2H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5,5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,6|H<1>}	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<3>,4|C<4>}	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	111.2240	0.000	1	111.2240	0.000	1	109.5075	1.510	6	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	108.1260	0.000	1	108.1260	0.000	1	109.5075	1.510	6	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	109.8810	0.000	1	109.8810	0.000	1	109.5075	1.510	6	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){3|C<4>,3|H<1>}	109.8205	0.760	2	109.8205	0.578	2	109.5075	1.510	6	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|N<3>,2|H<1>,3|C<4>}	108.1730	0.000	1	108.1730	0.000	1	109.5075	1.510	6	109.0816	2.528	7	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:3:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	112.7900	0.197	2	112.7900	0.039	2	112.7900	0.039	2	109.0786	3.414	18	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(O[5]C[5])2{4|C<4>,4|H<1>}	106.0400	0.000	1	106.0400	0.000	1	108.6147	1.800	16	109.0786	3.414	18	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[5,5](C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])2{1|Cl<1>,2|C<4>,5|H<1>}	109.5030	0.000	1	109.5030	0.000	1	108.6147	1.800	16	109.0786	3.414	18	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{2|C<4>,6|H<1>}	108.7351	1.221	14	108.7351	1.491	14	108.6147	1.800	16	109.0786	3.414	18	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:4:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{1|O<2>,3|H<1>,4|C<4>}	112.4880	0.000	1	112.4880	0.000	1	112.6080	0.029	2	112.6080	0.029	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:2:4:4:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	C[5,5](C[5]C[5]CH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[5]C[5]CH)2(O[5]C[5])2{1|O<2>,3|H<1>,4|C<4>}	112.7280	0.000	1	112.7280	0.000	1	112.6080	0.029	2	112.6080	0.029	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	3:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	108.1790	0.000	1	108.1790	0.000	1	107.8223	0.896	3	107.8223	0.896	3	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	3:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	107.6440	1.266	2	107.6440	1.602	2	107.8223	0.896	3	107.8223	0.896	3	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]C)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,3|C<4>}	112.0320	0.000	1	112.0320	0.000	1	110.7515	3.279	2	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]N)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|N<2>,3|C<4>}	109.4710	0.000	1	109.4710	0.000	1	110.7515	3.279	2	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	110.3870	0.000	1	110.5635	0.062	2	109.4325	2.865	11	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.7400	0.000	1	110.5635	0.062	2	109.4325	2.865	11	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H){2|C<3>,6|H<1>}	109.1286	1.900	8	109.1286	3.608	8	109.4325	2.865	11	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(O[5]C[5])2(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	109.6020	0.000	1	109.6020	0.000	1	109.4325	2.865	11	109.6355	2.906	13	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:2:2:4:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,3|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,1|S<4>,6|C<3>}	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	107.2595	8.791	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	107.2595	8.791	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	108.7772	4.499	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){1|F<1>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|F<1>,1|N<3>,7|H<1>}	110.7800	0.000	1	110.7800	0.000	1	110.8830	0.021	2	108.7772	4.499	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]N[6a]C[5]H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|N<3>,8|H<1>}	110.9860	0.000	1	110.9860	0.000	1	110.8830	0.021	2	108.7772	4.499	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|F<1>,1|N<3>,6|H<1>}	105.6730	0.000	1	105.6730	0.000	1	108.0010	4.125	3	108.7772	4.499	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]N[6a]C[5]H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,6|H<1>}	109.1650	0.346	2	109.1650	0.120	2	108.0010	4.125	3	108.7772	4.499	6	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC){1|S<4>,2|C<3>,4|H<1>}	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	107.8260	6.307	5	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[5]C[5]HH)2(O[5]C[5])2	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5]HH)2(O[5]C[5])2{3|C<3>,5|H<1>}	107.1642	2.343	4	107.1642	5.490	4	107.1642	5.490	4	107.8260	6.307	5	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:2:	3:4:2:2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[3x5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC){2|H<1>,2|O<2>,5|C<3>}	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:3:2:4:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,4|C<4>}	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,6]C[5]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5])2(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[6]C[6]2C)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2O)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[3,3]C[5]N[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<2>,1|H<2>,3|C<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.3780	0.000	1	108.3780	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]ClN)(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|Cl<1>,1|H<1>,1|N<2>,3|C<4>}	110.2280	0.000	1	110.2280	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.9080	0.000	1	108.0093	2.221	3	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HO)(C[5]C[5]2H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|N<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	107.5600	1.797	2	108.0093	2.221	3	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	106.9820	0.000	1	106.9820	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5,5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	109.0010	0.000	1	109.0010	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]N[5]C)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	109.5050	0.000	1	109.5050	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.4000	0.000	1	108.5244	1.153	5	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.9230	0.000	1	108.5244	1.153	5	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.4330	1.486	3	108.5244	1.153	5	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){2|H<1>,4|C<4>}	108.9657	1.327	3	108.9657	1.761	3	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|H<1>,3|C<4>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	107.9267	1.153	4	107.9267	1.329	4	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<1>,2|H<1>,3|C<4>}	108.4865	0.924	4	108.8640	2.051	20	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|O<2>,2|C<4>,2|O<3>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Mn<4>,1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<3>,2|H<1>,3|C<4>}	112.0030	1.397	2	108.8640	2.051	20	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|C<4>,3|H<1>}	109.9860	0.000	1	108.8640	2.051	20	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.4286	0.949	11	108.8640	2.051	20	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	108.3135	1.104	2	108.8640	2.051	20	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H)	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]N[5a]C[5]O[5])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,2|C<3>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	109.8950	0.000	1	109.8950	0.000	1	108.6957	1.695	41	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[6]C[6]2C)(O[5]C[5,5])(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,7|H<1>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,5|H<1>}	107.6710	0.000	1	107.8393	2.488	3	107.8635	1.661	4	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){3|H<1>,5|C<4>}	C[5](C[6]C[6,6]C[6]C)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(H){1|C<4>,1|O<2>,6|H<1>}	107.9235	2.221	2	107.8393	2.488	3	107.8635	1.661	4	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H)	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C[6]H){2|C<4>,3|H<1>,3|O<2>}	C[5](C[6]C[6]O[6]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|O<2>,2|H<1>,3|C<4>}	107.9360	0.000	1	107.9360	0.000	1	107.8635	1.661	4	108.6464	1.663	49	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]CH)(O[5]C[5,5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:2:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5,5])(H){1|H<1>,3|O<2>,6|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C){2|C<4>,3|H<1>,3|O<2>}	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.8750	0.082	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:4:	4:2:2:1:	C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(H){1|H<1>,1|O<2>,4|C<4>}	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	110.8750	0.082	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:4:	4:3:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C){1|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]H)(O[5]C[5])(H){2|H<1>,5|C<4>}	107.2005	0.047	2	107.2005	0.002	2	107.2005	0.002	2	107.2005	0.002	2	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,5]	4:4:	4:4:2:4:	4:4:2:1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[3,5]-4:C[3x5]-4:O[5]-2:H-1:	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3)	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H)	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,5|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H){2|H<1>,5|C<4>}	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.8714	2.925	153	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:3:2:1:	3:2:2:2:	C[5,6]-4:C[5]-4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:3:2:1:	3:4:2:2:	C[5,6]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6,6a]-3:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC)	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,2|H<1>,3|C<3>}	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:3:2:1:	4:4:3:2:	C[5,6]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5])	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|Se<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]Se)(O[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,5|H<1>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	105.8010	0.935	2	105.8010	0.874	2	106.0700	1.598	5	106.0700	1.598	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	108.0810	0.000	1	106.2493	2.638	3	106.0700	1.598	5	106.0700	1.598	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5a]C[5]H){2|C<3>,3|O<2>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	105.3335	0.493	2	106.2493	2.638	3	106.0700	1.598	5	106.0700	1.598	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	3:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<3>,1|C<4>,7|H<1>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	106.9440	0.000	1	106.9440	0.000	1	106.2500	0.258	18	106.2500	0.258	18	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	105.2777	0.340	3	105.2777	0.115	3	106.2500	0.258	18	106.2500	0.258	18	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|N<2>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.3918	0.190	13	106.3918	0.036	13	106.2500	0.258	18	106.2500	0.258	18	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.6290	0.000	1	106.6290	0.000	1	106.2500	0.258	18	106.2500	0.258	18	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.3300	0.000	1	106.3300	0.000	1	106.6037	0.049	6	106.6037	0.049	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.6723	0.246	3	106.6305	0.047	4	106.6037	0.049	6	106.6037	0.049	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.5050	0.000	1	106.6305	0.047	4	106.6037	0.049	6	106.6037	0.049	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	2:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	106.7700	0.000	1	106.7700	0.000	1	106.6037	0.049	6	106.6037	0.049	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	3:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	106.7950	0.068	2	106.7950	0.005	2	106.7950	0.005	2	106.7950	0.005	2	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.7345	0.513	2	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.7345	0.513	2	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:2:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	108.8517	0.206	3	108.8517	0.043	3	108.8517	0.043	3	108.8517	0.043	3	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:3:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5]HH){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	107.4203	5.177	3	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3,6]C[5,6])(O[5]C[5,6])(H)2{3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	107.4203	5.177	3	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	107.4203	5.177	3	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	106.8150	0.000	1	107.7480	4.242	3	107.9988	3.080	4	107.9988	3.080	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	106.3200	0.000	1	107.7480	4.242	3	107.9988	3.080	4	107.9988	3.080	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5,6])(H)2{1|N<3>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	110.1090	0.000	1	107.7480	4.242	3	107.9988	3.080	4	107.9988	3.080	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	108.7510	0.000	1	108.7510	0.000	1	107.9988	3.080	4	107.9988	3.080	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:3:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CCH)(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:1:	2:4:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	107.7770	0.441	2	107.7770	0.195	2	107.7770	0.195	2	107.7770	0.195	2	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:1:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:1:	4:3:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{3|C<4>,6|H<1>}	109.5405	1.118	34	109.5405	1.251	34	109.5405	1.251	34	109.5405	1.251	34	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:3:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:4:	4:2:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:4:	4:3:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:2:4:4:	4:3:2:2:	C[5,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:C-2:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]C)(O[5]C[5])(CC){2|H<1>,3|C<4>}	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	3:3:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]H)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[5,6](C[6]C[6]H)2(O[5]C[5])2{1|C<4>,2|C<3>,4|H<1>}	107.7935	2.196	2	107.7935	4.821	2	107.7935	4.821	2	107.7935	4.821	2	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	107.1430	0.000	1	107.1430	0.000	1	108.1585	2.062	2	108.6815	1.057	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	109.1740	0.000	1	109.1740	0.000	1	108.1585	2.062	2	108.6815	1.057	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	109.2045	0.120	2	109.2045	0.014	2	109.2045	0.014	2	108.6815	1.057	4	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	107.8050	2.899	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	107.8050	2.899	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	108.4460	0.000	1	108.4460	0.000	1	107.1200	3.517	2	107.8050	2.899	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[6a]C[5]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,5|H<1>}	105.7940	0.000	1	105.7940	0.000	1	107.1200	3.517	2	107.8050	2.899	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:1:	C[5,6]-4:C[5]-4:	N[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H)	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H)	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]C[6]H){1|Cu<6>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	107.8050	2.899	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])2{2|C<3>,3|C<4>,4|H<1>}	107.7770	2.563	2	107.7770	6.567	2	107.7070	1.852	6	107.7070	1.852	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	107.6720	0.945	4	107.6720	0.893	4	107.7070	1.852	6	107.7070	1.852	6	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	110.2990	0.000	1	110.2990	0.000	1	109.2510	2.183	4	109.0387	1.703	7	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.9810	0.000	2	107.9810	0.000	2	109.2510	2.183	4	109.0387	1.703	7	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|O<2>,2|C<3>,2|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	110.7430	0.000	1	110.7430	0.000	1	109.2510	2.183	4	109.0387	1.703	7	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:2:1:	4:4:2:4:	C[5,6]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	108.7557	1.274	3	108.7557	1.623	3	108.7557	1.623	3	109.0387	1.703	7	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:3:3:2:	4:4:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H){2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.6526	0.629	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){4|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]C[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.3670	0.164	3	107.6526	0.629	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|O<2>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	107.7480	0.000	1	107.7480	0.000	1	107.3670	0.164	3	107.6526	0.629	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]2H){1|N<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5]N[5]C)(C[5]O[5]HH)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	106.9410	0.000	1	106.9410	0.000	1	107.3670	0.164	3	107.6526	0.629	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5,6]	4:4:	4:4:2:1:	4:4:2:2:	C[5,6]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H)	C[5,6](C[6]C[6]HH)2(O[5]C[5])2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,7|H<1>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5,6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6]C[6]HH)2(O[5]C[5])2{2|C<4>,7|H<1>}	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.6526	0.629	5	108.1480	2.793	122	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:1:	2:2:4:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:Cl-1:	O[5]-2:O[5]-2:C-4:Cl-1:	O[5](C[5]O[5]ClC)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	O[5](C[5]O[5]ClC)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<3>,1|O<2>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	110.6355	3.549	2	109.3237	11.460	3	109.3237	11.460	3	109.3237	11.460	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	106.7000	0.000	1	109.3237	11.460	3	109.3237	11.460	3	109.3237	11.460	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:2:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-2:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC)(H){2|C<4>}	108.6380	1.611	2	108.6380	2.595	2	108.6380	2.595	2	108.6380	2.595	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){2|C<4>}	108.0420	1.793	4	108.0420	3.216	4	107.2245	2.718	10	107.2245	2.718	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	106.8143	2.246	3	106.8143	5.043	3	107.2245	2.718	10	107.2245	2.718	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHN)(H){2|C<4>}	106.3070	0.000	1	106.3070	0.000	1	107.2245	2.718	10	107.2245	2.718	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){2|C<4>}	106.4610	0.000	1	106.4610	0.000	1	107.2245	2.718	10	107.2245	2.718	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){2|C<4>}	106.8660	0.000	1	106.8660	0.000	1	107.2245	2.718	10	107.2245	2.718	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|O<2>}	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	109.5200	0.000	1	109.5200	0.000	1	108.3180	2.890	2	108.3180	2.890	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	107.1160	0.000	1	107.1160	0.000	1	108.3180	2.890	2	108.3180	2.890	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	2:2:4:4:	4:2:4:2:	C[5]-4:C[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	O[5](C[5]C[5,5a]HH)2{2|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,2|C<3>,2|H<1>}	112.6120	0.000	1	112.6120	0.000	1	113.3895	1.209	2	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5a]HH)2	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	O[5](C[5]C[5,5a]HH)2{1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>}	114.1670	0.000	1	114.1670	0.000	1	113.3895	1.209	2	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	110.0180	0.000	1	110.0180	0.000	1	110.1650	0.087	4	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.4100	0.014	2	110.2140	0.115	3	110.1650	0.087	4	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{3|C<4>,3|H<1>}	109.8220	0.000	1	110.2140	0.115	3	110.1650	0.087	4	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:F-1:F-1:	C[5,6a]-3:O[5]-2:F-1:F-1:	O[5](C[5]C[5,6a]FF)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2	O[5](C[5]C[5,6a]FF)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2{2|F<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2{2|F<1>,3|C<3>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	110.5185	1.064	4	110.5185	1.132	4	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	110.4680	0.950	3	110.4680	0.902	3	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	111.7385	0.643	2	111.4940	0.221	4	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	111.2495	0.100	2	111.4940	0.221	4	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	111.4255	0.627	2	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	110.8390	0.521	3	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	109.6940	0.000	1	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	110.9265	0.756	6	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	111.7025	0.295	2	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	110.4120	1.871	3	110.8978	0.932	17	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]HH)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]HH)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	110.4260	0.000	1	110.4260	0.000	1	110.8670	0.840	29	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|H<1>}	104.1974	6.180	2	104.1974	38.188	2	104.1974	38.188	2	110.5896	4.439	38	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:2:4:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:O-2:C-4:	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){2|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)(H){1|O<2>,2|C<4>,3|H<1>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	109.6910	1.108	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:3:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	109.1230	0.530	2	109.1230	0.281	2	109.1230	0.281	2	109.6910	1.108	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:3:4:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-3:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	110.2980	1.409	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	C[5](C[5]N[6a]C[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	109.7160	0.887	2	109.7160	0.786	2	109.7160	0.786	2	110.2980	1.409	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<3>,3|H<1>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	106.7300	4.666	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]2)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	104.9880	0.000	1	104.9880	0.000	1	106.5087	5.895	4	106.7300	4.666	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	105.8000	0.000	1	105.8000	0.000	1	106.5087	5.895	4	106.7300	4.666	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|O<2>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	107.6235	3.519	2	107.6235	12.385	2	106.5087	5.895	4	106.7300	4.666	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]S)(O[5]C[5])(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|C<3>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	2:2:2:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:O-2:H-1:	N[5]-2:O[5]-2:O-2:H-1:	O[5](C[5]C[5]HO)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H)	O[5](C[5]C[5]HO)(C[5]N[5]HO){1|C<3>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H){1|C<3>,1|H<1>,1|O<2>}	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	2:2:2:4:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:O-2:H-1:	N[5]-2:O[5]-2:O-2:C-4:	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	105.5780	0.000	1	105.5780	0.000	1	105.5245	0.006	2	105.5245	0.006	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	2:2:2:4:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:O-2:H-1:	N[5]-2:O[5]-2:O-2:C-4:	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	105.4710	0.000	1	105.4710	0.000	1	105.5245	0.006	2	105.5245	0.006	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	104.5830	0.000	1	104.5830	0.000	1	104.5830	0.000	1	104.5830	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)	C[5](C[5a]C[5a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(O[5]C[5])2(H){1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	105.0648	1.499	4	105.0648	2.248	4	105.0648	2.248	4	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	104.0550	1.386	2	104.0550	1.921	2	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	105.2020	1.643	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	104.7995	2.245	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	104.7343	1.532	10	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	107.2980	1.854	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	106.2070	1.215	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	104.9988	1.255	8	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	107.0387	0.382	4	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	105.7567	1.222	4	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	105.6490	2.097	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>}	106.1560	2.399	2	105.5036	2.351	38	105.4312	2.382	40	105.3979	2.329	44	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	107.3300	0.000	1	107.3300	0.000	1	107.7489	0.383	8	107.7489	0.383	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CN)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){4|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	108.3000	0.000	1	108.3000	0.000	1	107.7489	0.383	8	107.7489	0.383	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	107.6236	0.685	5	107.6236	0.469	5	107.7489	0.383	8	107.7489	0.383	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CN)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]O[5]CC)(O[5]C[5])(CN)2{1|C<3>,1|H<1>}	108.2430	0.000	1	108.2430	0.000	1	107.7489	0.383	8	107.7489	0.383	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	O[5](C[5]C[5a]O[5]H)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H){3|H<1>,4|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	106.4005	0.903	2	106.4005	0.815	2	106.4005	0.815	2	105.8258	1.682	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<3>,1|H<1>}	105.7600	0.000	1	105.7600	0.000	1	105.6616	1.966	7	105.8258	1.682	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	105.8717	1.557	4	105.6452	2.357	6	105.6616	1.966	7	105.8258	1.682	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	105.1920	1.974	2	105.6452	2.357	6	105.6616	1.966	7	105.8258	1.682	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6]C[6]N[6])(O[5]C[5])2(H){1|Re<6>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	106.1200	2.314	2	106.1200	5.353	2	106.1200	5.353	2	106.9638	3.149	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	105.5760	0.000	1	105.5760	0.000	1	107.3858	2.753	4	106.9638	3.149	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	109.5660	0.000	1	109.5660	0.000	1	107.3858	2.753	4	106.9638	3.149	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	107.2005	0.401	2	107.2005	0.161	2	107.3858	2.753	4	106.9638	3.149	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-2:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC){1|C<3>,1|H<1>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO){1|C<3>,1|H<1>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	108.3280	8.603	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:N-3:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC){1|H<1>,3|C<3>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	108.3280	8.603	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	106.9750	2.551	2	106.7818	4.410	4	106.7818	4.410	4	106.7818	4.410	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	106.5885	2.563	2	106.7818	4.410	4	106.7818	4.410	4	106.7818	4.410	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:1:	4:4:2:3:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:S-2:C-4:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	C[5](O[5]C[5])2(CC3)(H)	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	106.4700	0.000	1	106.4700	0.000	1	106.4700	0.000	1	106.4700	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[5](C[5]N[5]C)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	3:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	111.9000	0.000	1	111.9000	0.000	1	110.4115	4.431	2	110.4115	4.431	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	3:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	108.9230	0.000	1	108.9230	0.000	1	110.4115	4.431	2	110.4115	4.431	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH){2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.0965	1.244	4	106.0965	1.547	4	106.0965	1.547	4	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	107.8320	0.167	2	107.8320	0.028	2	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.5993	2.394	3	106.5993	5.732	3	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	108.0965	1.191	2	107.0927	1.890	4	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.0890	0.471	2	107.0927	1.890	4	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.6195	2.354	2	106.6195	5.541	2	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	104.4970	0.000	1	104.4970	0.000	1	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	107.1260	0.857	2	107.1260	0.734	2	106.8444	2.430	14	106.6782	2.233	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:2:4:	4:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	108.4490	0.171	3	108.4490	0.029	3	108.4490	0.029	3	108.4490	0.029	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:3:1:	3:2:4:4:	C[5]-4:C[5]-4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5,5a]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH){2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:3:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:3:2:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-3:O-2:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	2:2:4:3:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	C[5](O[5]C[5])2(CH3)(COO)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	108.3448	2.456	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	3:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	109.9370	0.000	1	109.9370	0.000	1	107.9223	2.084	4	108.3448	2.456	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	3:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	107.2507	0.648	3	107.2507	0.420	3	107.9223	2.084	4	108.3448	2.456	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6a]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,6a]CH)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3315	0.001	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:O[5]-2:P-4:H-1:	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H){1|C<4>,2|C<3>,2|H<1>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.3315	0.001	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	109.2930	0.000	1	109.4150	1.053	7	109.3321	0.817	9	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.1208	0.370	4	109.4150	1.053	7	109.3321	0.817	9	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	108.0645	0.503	2	109.4150	1.053	7	109.3321	0.817	9	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	109.0420	0.048	2	109.0420	0.002	2	109.3321	0.817	9	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	108.9315	0.013	2	108.9315	0.000	2	109.3533	0.534	3	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|Si<4>,1|C<3>,1|C<4>}	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Si<4>,1|C<4>,1|H<1>}	110.1970	0.000	1	110.1970	0.000	1	109.3533	0.534	3	109.2873	0.666	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	108.8655	0.490	2	108.5220	0.544	5	108.5220	0.544	5	108.5220	0.544	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	108.2930	0.878	3	108.5220	0.544	5	108.5220	0.544	5	108.5220	0.544	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:2:	2:2:4:3:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:O-2:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	C[5](O[5]C[5])2(CC3)(COO)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	C[5](O[5]C[5])2(CC3)(COO){1|C<4>,1|O<1>,1|O<2>}	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:3:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,3|C<3>}	111.1630	0.000	1	109.1150	4.087	4	109.1150	4.087	4	109.1150	4.087	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:3:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|C<4>,2|H<1>}	108.4323	1.826	3	109.1150	4.087	4	109.1150	4.087	4	109.1150	4.087	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	3:2:3:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	N[5]-3:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C[5](N[5]C[5]O)(O[5]C[5])(CCH)(H){1|O<1>,2|C<4>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	3:2:4:3:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:C-4:N-3:	O[5](C[5]C[5]CC)(C[5]C[5]CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	O[5](C[5]C[5]CC)(C[5]C[5]CN){2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CC)2{2|N<3>}	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	114.4530	1.018	2	114.4530	1.037	2	114.4530	1.037	2	114.4530	1.037	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,4|C<4>}	108.5170	0.000	1	108.2937	0.041	3	108.2937	0.041	3	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	108.2420	0.000	1	108.2937	0.041	3	108.2937	0.041	3	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|H<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	108.1220	0.000	1	108.2937	0.041	3	108.2937	0.041	3	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC){1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	107.6670	1.264	2	107.6670	1.598	2	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	108.2232	0.750	18	108.1440	0.548	22	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|H<1>,2|C<3>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	107.7873	0.662	4	108.1440	0.548	22	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	107.8427	0.945	3	107.8222	0.447	5	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|S<4>,2|C<4>}	107.7915	0.012	2	107.8222	0.447	5	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	111.4100	0.000	1	111.4100	0.000	1	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	107.8480	0.000	1	107.8480	0.000	1	108.1571	0.887	31	108.1664	0.787	35	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	109.0370	0.000	1	109.0370	0.000	1	109.8700	1.388	2	110.2937	1.154	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,1|O<1>,1|S<4>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	110.7030	0.000	1	110.7030	0.000	1	109.8700	1.388	2	110.2937	1.154	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	112.1140	0.000	1	112.1140	0.000	1	110.5055	1.280	4	110.2937	1.154	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	109.9693	0.443	3	109.9693	0.196	3	110.5055	1.280	4	110.2937	1.154	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:2:4:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	2:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	N[5]-2:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[5](N[5]C[5])(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5])(O[5]C[5])(H)2{1|H<1>,2|C<3>}	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	110.4095	0.351	2	110.4095	0.124	2	110.4095	0.124	2	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	107.3930	0.082	2	107.3930	0.007	2	109.9326	5.393	5	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	111.6257	0.183	3	111.6257	0.034	3	109.9326	5.393	5	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	110.2279	2.562	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	109.8750	0.225	2	109.8750	0.051	2	109.9999	0.081	8	109.9999	0.081	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(CN)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	110.5320	0.000	1	110.5320	0.000	1	109.9999	0.081	8	109.9999	0.081	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|C<3>,2|H<1>}	110.1550	0.000	1	110.1550	0.000	1	109.9999	0.081	8	109.9999	0.081	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2{2|H<1>,3|C<3>}	109.8905	0.209	4	109.8905	0.044	4	109.9999	0.081	8	109.9999	0.081	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:3:3:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-3:C-3:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]O)2{2|H<1>,3|C<3>}	107.5255	0.414	2	107.5255	0.171	2	107.5255	0.171	2	107.8353	0.374	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:3:3:	C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-3:C-3:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[5]C)(O[5]C[5])(COO)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	107.8353	0.374	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]H)2{2|S<2>,4|C<3>}	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	112.8810	0.284	4	112.8810	0.081	4	112.8810	0.081	4	112.3194	1.637	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,6a]C[6a]H)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	112.3194	1.637	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	109.9940	0.000	1	109.9940	0.000	1	108.8957	0.695	4	107.3873	6.973	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	108.6160	0.656	2	108.6160	0.431	2	108.8957	0.695	4	107.3873	6.973	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.8957	0.695	4	107.3873	6.973	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	105.3760	3.043	3	105.3760	9.257	3	105.3760	9.257	3	107.3873	6.973	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:3:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C-4:O[5]-2:C-3:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.6535	0.104	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	3:4:2:3:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-3:C-4:O[5]-2:N-3:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.6535	0.104	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	107.3443	0.731	3	107.3443	0.534	3	106.7647	2.145	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	105.8240	0.000	1	105.8240	0.000	1	106.7647	2.145	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	108.9330	0.000	1	108.9330	0.000	1	106.7647	2.145	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|H<1>,2|C<3>}	105.9160	0.000	1	105.9160	0.000	1	106.7647	2.145	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|S<4>}	104.6470	0.000	1	104.6470	0.000	1	106.7647	2.145	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.4020	0.000	1	110.4020	0.000	1	108.6451	2.034	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	108.7322	1.509	4	108.3523	1.721	6	108.6451	2.034	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.4540	0.000	1	108.3523	1.721	6	108.6451	2.034	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	107.7310	0.000	1	108.3523	1.721	6	108.6451	2.034	7	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,3x6]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	106.3828	0.697	4	106.3828	0.486	4	106.3828	0.486	4	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	107.7740	0.000	1	109.4723	2.718	3	109.4723	2.718	3	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.3215	1.053	2	109.4723	2.718	3	109.4723	2.718	3	107.7056	3.035	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2{1|C<4>,1|H<1>,3|C<3>}	108.4164	0.572	5	108.4164	0.328	5	108.4164	0.328	5	108.4164	0.328	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.3880	0.518	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	106.3880	0.518	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-3:O[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:3:3:2:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	107.4710	0.000	1	107.9840	0.526	2	107.9840	0.526	2	107.9840	0.526	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:3:3:2:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	108.4970	0.000	1	107.9840	0.526	2	107.9840	0.526	2	107.9840	0.526	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5]2Fe)(C[5]N[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:1:	4:4:2:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	2:2:2:1:	C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	N[5]-2:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H)	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H){1|O<2>,2|C<3>}	105.6495	0.175	2	105.6495	0.031	2	105.6495	0.031	2	105.6495	0.031	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	3:2:4:2:	C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-3:O[5]-2:C-4:O-2:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	110.7665	0.059	2	110.7665	0.003	2	110.7665	0.003	2	110.7665	0.003	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<3>}	107.2947	2.021	3	107.2947	4.083	3	107.2947	4.083	3	107.2947	4.083	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	106.0935	2.541	2	106.0935	6.455	2	106.5567	3.871	3	106.5567	3.871	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	107.4830	0.000	1	107.4830	0.000	1	106.5567	3.871	3	106.5567	3.871	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:2:	4:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C-4:O[5]-2:H-1:	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	110.9775	0.235	2	110.9775	0.055	2	110.9775	0.055	2	110.9775	0.055	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:3:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{3|C<3>}	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.6655	0.364	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:3:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]N)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(H)2{3|C<3>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	110.6655	0.364	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:3:	3:2:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-2:O-2:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	3:2:2:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	109.8850	0.331	2	109.8850	0.110	2	109.8850	0.110	2	109.8850	0.110	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	108.8520	0.000	1	108.8520	0.000	1	109.8140	0.866	3	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	110.2950	0.587	2	110.2950	0.344	2	109.8140	0.866	3	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	108.1650	0.000	1	107.9593	0.280	3	108.0510	0.220	4	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	107.8565	0.705	2	107.9593	0.280	3	108.0510	0.220	4	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	108.3260	0.000	1	108.3260	0.000	1	108.0510	0.220	4	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<3>,3|C<4>}	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	108.4205	2.296	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	3:3:3:2:	C[5]-4:C[5]-4:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[5,6,6]C[6a]2)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	O[5](C[5]C[5,6,6]C[6a]2)2{2|C<4>,8|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	112.4340	0.694	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	3:3:3:2:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	O[5](C[5]C[6a]2C[5])2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	O[5](C[5]C[6a]2C[5])2{2|Br<1>,8|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	112.4340	0.694	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	110.3574	1.403	8	109.8471	1.790	13	109.8471	1.790	13	109.5172	1.745	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	109.4467	0.366	3	109.8471	1.790	13	109.8471	1.790	13	109.5172	1.745	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]2N[5])(C[5]C[5]HH)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]2N[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|O<2>,2|C<3>}	108.4065	0.842	2	109.8471	1.790	13	109.8471	1.790	13	109.5172	1.745	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	108.4450	0.379	4	108.4450	0.144	4	108.4450	0.144	4	109.5172	1.745	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:3:2:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	2:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-3:C-4:O[5]-2:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C[5](O[5]C[5])2(CC3)(H)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	109.5390	0.700	2	109.5390	0.490	2	109.5390	0.490	2	109.5390	0.490	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	3:3:2:3:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5]){2|C<4>,5|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	108.2495	7.103	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	108.2495	7.103	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	109.1070	0.929	2	109.1070	0.863	2	109.3307	0.582	3	109.3307	0.582	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.3307	0.582	3	109.3307	0.582	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.0020	0.055	2	110.0020	0.055	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:3:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	109.8360	0.000	1	109.8360	0.000	1	110.0020	0.055	2	110.0020	0.055	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	2:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	O[5]-2:S[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	112.7914	2.168	13	112.7914	4.700	13	112.7914	4.700	13	112.7914	4.700	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	109.1959	2.259	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC)	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	109.3345	0.165	2	109.3345	0.027	2	109.3345	0.027	2	109.1959	2.259	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	107.0020	0.000	1	109.5995	3.086	4	109.5995	3.086	4	109.1959	2.259	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	110.4653	0.362	3	109.5995	3.086	4	109.5995	3.086	4	109.1959	2.259	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|O<1>,2|H<1>,8|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<4>}	109.2500	0.000	1	109.8075	0.622	2	109.8075	0.622	2	108.1216	2.720	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-3:C[5]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2H)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<4>}	110.3650	0.000	1	109.8075	0.622	2	109.8075	0.622	2	108.1216	2.720	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	108.1216	2.720	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	107.3345	0.320	2	107.3345	0.103	2	107.3345	0.103	2	108.1216	2.720	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]HO){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.8473	0.790	4	111.8473	0.625	4	111.8473	0.625	4	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	105.7930	0.000	1	105.7930	0.000	1	106.1627	1.099	3	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	107.3460	0.000	1	107.3460	0.000	1	106.1627	1.099	3	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|S<2>,2|C<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	105.3490	0.000	1	105.3490	0.000	1	106.1627	1.099	3	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	105.2605	0.462	2	105.2605	0.213	2	105.2431	1.629	12	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	103.3400	0.000	1	105.2396	1.967	10	105.2431	1.629	12	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	104.3513	0.834	3	105.2396	1.967	10	105.2431	1.629	12	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	106.1372	1.255	5	105.2396	1.967	10	105.2431	1.629	12	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	105.3160	0.000	1	105.2396	1.967	10	105.2431	1.629	12	107.0074	9.161	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	112.7170	0.018	2	112.7170	0.000	2	112.7170	0.000	2	110.8808	2.962	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.8808	2.962	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	109.3555	0.258	2	109.3555	0.067	2	109.3555	0.067	2	110.8808	2.962	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	108.6960	0.282	4	108.6960	0.079	4	108.6960	0.079	4	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	107.6867	3.795	3	107.6867	14.404	3	107.5899	3.654	10	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	107.6683	0.410	3	107.5484	0.673	7	107.5899	3.654	10	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	107.4585	1.100	4	107.5484	0.673	7	107.5899	3.654	10	107.9421	2.731	16	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6]-3:N[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	108.9245	1.575	2	108.9245	2.480	2	108.9245	2.480	2	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	107.1995	0.148	2	108.4902	11.328	5	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	109.3507	4.457	3	108.4902	11.328	5	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	108.2403	3.461	4	107.7808	10.037	5	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	105.9430	0.000	1	107.7808	10.037	5	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	106.5610	0.745	2	106.5610	0.555	2	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	108.2870	0.000	1	108.2870	0.000	1	107.9049	7.630	13	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:C-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	110.2280	0.000	1	110.2280	0.000	1	109.6640	0.636	2	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:C-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.6640	0.636	2	108.1710	6.015	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5a]C[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	106.4235	3.154	2	106.4235	9.950	2	106.4235	9.950	2	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Co<6>,1|C<3>,2|H<1>}	109.9190	0.000	1	109.9190	0.000	1	107.8210	6.606	4	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Ni<6>,1|C<3>,2|H<1>}	109.8040	0.000	1	109.8040	0.000	1	107.8210	6.606	4	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Pd<4>,1|C<3>,2|H<1>}	104.5240	0.000	1	104.5240	0.000	1	107.8210	6.606	4	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,2|H<1>}	107.0370	0.000	1	107.0370	0.000	1	107.8210	6.606	4	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	110.3670	0.444	2	110.3670	0.197	2	110.3670	0.197	2	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	109.5210	0.000	1	109.5210	0.000	1	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	107.3800	3.049	2	107.3800	9.297	2	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	109.9890	0.000	1	107.2423	5.658	3	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	105.8690	0.000	2	107.2423	5.658	3	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.2620	0.801	4	109.4040	0.582	5	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	109.9720	0.000	1	109.4040	0.582	5	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|H<1>,1|N<3>,2|C<3>}	108.6057	2.363	16	108.6057	5.584	16	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	104.9120	0.000	1	107.9005	17.862	2	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	110.8890	0.000	1	107.9005	17.862	2	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|S<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|S<3>,2|H<1>}	106.9580	0.000	1	106.9580	0.000	1	108.4493	4.832	30	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	106.8950	0.882	2	106.8950	0.779	2	106.7103	0.492	3	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	106.3410	0.000	1	106.3410	0.000	1	106.7103	0.492	3	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|H<1>}	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	109.9370	0.000	1	109.9370	0.000	1	108.5210	3.801	5	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	110.2310	0.000	1	110.2310	0.000	1	108.5210	3.801	5	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	108.8910	0.000	1	108.8910	0.000	1	108.5210	3.801	5	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	106.7730	2.007	2	106.7730	4.027	2	108.5210	3.801	5	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	109.7158	0.300	5	109.7158	0.090	5	109.6594	0.431	8	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{2|H<1>,2|N<3>}	110.2250	0.081	2	110.2250	0.006	2	109.6594	0.431	8	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	108.2460	0.000	1	108.2460	0.000	1	109.6594	0.431	8	108.5056	4.224	55	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	107.1375	0.176	2	107.1375	0.031	2	107.1375	0.031	2	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	109.3940	1.940	3	109.3940	3.764	3	109.8558	2.306	5	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	110.3300	0.000	1	110.3300	0.000	1	109.8558	2.306	5	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	110.7670	0.000	1	110.7670	0.000	1	109.8558	2.306	5	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	N[3,5]-3:C[3]-4:O[5]-2:H-1:	C[3,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO)	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	O[5](C[5]N[3,5]C[3]H)(C[5]C[3,5]HO){1|N<3>,2|C<4>,2|H<1>}	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CO)(H){1|N<3>,1|O<2>,2|H<1>}	110.0697	0.008	3	110.0697	0.000	3	110.0697	0.000	3	109.2807	2.288	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){1|H<1>,3|C<3>}	105.5390	0.000	1	105.5390	0.000	1	106.3005	1.160	2	108.9638	6.518	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	107.0620	0.000	1	107.0620	0.000	1	106.3005	1.160	2	108.9638	6.518	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|N<3>,1|O<2>,2|H<1>}	111.1925	0.187	2	111.1925	0.035	2	110.7393	0.634	3	108.9638	6.518	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCH)(H){1|N<3>,1|O<2>,2|H<1>}	109.8330	0.000	1	109.8330	0.000	1	110.7393	0.634	3	108.9638	6.518	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	109.4808	0.826	6	108.9994	1.463	10	109.0585	1.355	11	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	109.0080	0.000	1	108.9994	1.463	10	109.0585	1.355	11	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	108.0337	1.669	3	108.9994	1.463	10	109.0585	1.355	11	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,3|O<2>}	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	109.6490	0.000	1	109.6490	0.000	1	109.0585	1.355	11	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Cu<6>,1|C<3>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	109.3740	0.000	1	109.3740	0.000	1	110.0390	0.884	2	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<3>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	110.7040	0.000	1	110.7040	0.000	1	110.0390	0.884	2	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCo2C)(H){1|H<1>,3|C<3>}	108.4590	0.000	1	108.4590	0.000	1	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	105.5390	0.000	1	105.5390	0.000	1	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	107.9110	0.000	1	107.9110	0.000	1	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	108.3810	1.954	2	108.3810	3.820	2	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	109.1710	0.000	2	108.6391	4.041	12	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	108.5650	2.446	4	108.6391	4.041	12	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	107.5465	2.695	2	108.6391	4.041	12	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	110.2690	0.000	1	108.6391	4.041	12	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	108.5683	2.607	3	108.6391	4.041	12	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	107.4705	2.197	2	107.4705	4.827	2	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	111.5080	0.000	1	111.5080	0.000	1	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	109.7310	0.000	1	110.0030	0.318	13	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	110.2940	0.225	3	110.0030	0.318	13	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	109.2770	0.000	1	110.0030	0.318	13	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	110.0186	0.639	8	110.0030	0.318	13	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	106.6730	0.000	1	106.6730	0.000	1	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	110.8055	0.534	2	110.8055	0.285	2	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	110.1990	0.602	4	110.1990	0.363	4	109.1977	2.929	40	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.8230	1.544	8	109.8230	2.385	8	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.0530	0.000	2	110.0530	0.000	2	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.6970	0.000	1	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	113.3620	0.000	1	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	108.6710	0.000	1	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.5974	0.709	8	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.6405	0.367	2	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.0400	0.000	1	109.8450	1.387	14	109.8550	1.514	24	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	110.0800	0.000	1	110.0800	0.000	1	110.7850	0.469	3	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	111.4470	0.000	1	111.1375	0.192	2	110.7850	0.469	3	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	110.8280	0.000	1	111.1375	0.192	2	110.7850	0.469	3	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.4830	0.242	2	108.4830	0.058	2	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.3617	0.077	3	110.3617	0.006	3	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	107.0460	0.000	1	107.0460	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	109.6780	0.000	1	109.6780	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	108.9370	0.000	1	108.9296	2.954	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	109.8630	0.000	1	108.9296	2.954	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	111.0520	0.000	1	108.9296	2.954	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	107.3980	1.322	2	108.9296	2.954	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|I<1>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.3550	0.000	1	108.3550	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	111.6420	4.405	6	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.2035	1.278	2	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	111.6660	0.000	1	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.5882	1.844	9	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.8090	1.349	16	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.4163	0.699	12	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	107.7950	0.000	1	109.3820	4.548	47	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.1090	0.000	1	110.1090	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	108.2620	0.000	1	108.2620	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	107.1130	0.000	1	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	103.6660	0.000	1	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.0384	0.747	14	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.4860	0.000	1	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.0290	0.000	1	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.7000	0.000	1	109.5016	2.853	19	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	108.5050	0.000	1	108.5050	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	111.5740	0.000	1	111.5740	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.8073	2.073	9	109.8515	3.841	10	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.2490	0.000	1	109.8515	3.841	10	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.6337	0.592	4	109.9106	0.646	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	111.0180	0.000	1	109.9106	0.646	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	111.3350	0.000	1	109.7987	1.914	3	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.0305	0.537	2	109.7987	1.914	3	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.4180	0.000	1	110.4180	0.000	1	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.6912	1.143	4	109.6512	0.987	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.4910	0.000	1	109.6512	0.987	5	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.3512	0.456	4	110.2035	0.137	8	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.3910	0.000	1	110.2035	0.137	8	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.9440	0.081	3	110.2035	0.137	8	109.5259	3.041	115	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	108.2210	0.000	1	108.2210	0.000	1	110.2003	2.938	3	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:F-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	111.1900	0.004	2	111.1900	0.000	2	110.2003	2.938	3	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	106.7070	0.000	1	106.7070	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	108.7170	0.000	1	107.3820	1.922	6	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	106.5635	0.450	2	107.3820	1.922	6	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	107.4827	1.768	3	107.3820	1.922	6	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.8950	0.000	1	108.0630	2.047	3	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	107.6470	1.748	2	108.0630	2.047	3	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.3710	0.000	1	110.3710	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.3805	0.342	2	110.3805	0.117	2	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	111.1400	0.000	1	111.1400	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	110.8260	0.000	1	110.8260	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	110.5940	0.517	3	110.5940	0.267	3	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	111.3000	0.000	1	111.3000	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	109.8070	0.439	4	109.8070	0.192	4	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.6215	0.285	2	110.9352	0.257	4	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	111.2490	0.544	2	110.9352	0.257	4	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	107.8720	0.800	2	107.8720	0.641	2	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	107.2160	0.653	2	107.2160	0.427	2	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.1840	0.000	1	109.8812	1.239	52	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.4711	0.530	15	109.8812	1.239	52	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.6741	1.232	33	109.8812	1.239	52	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.6720	0.000	1	109.8812	1.239	52	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.8270	0.878	2	109.8812	1.239	52	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	106.7650	0.000	1	106.7650	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	112.8750	0.000	1	112.8750	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.0115	0.760	6	110.0115	0.578	6	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	103.3570	0.000	1	103.3570	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.9733	0.308	3	109.8208	1.401	17	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	109.6840	0.000	1	109.8208	1.401	17	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.2347	0.894	11	109.8208	1.401	17	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	106.9490	0.000	1	109.8208	1.401	17	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	107.8190	0.000	1	109.8208	1.401	17	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|F<1>,2|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	106.7710	0.000	1	106.7710	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	111.6310	0.000	1	111.6310	0.000	1	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.9480	0.000	1	110.2103	0.447	3	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.8415	0.279	2	110.2103	0.447	3	109.6262	2.338	114	109.5512	2.551	314	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.5412	1.895	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:N-2:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	109.5412	1.895	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	108.3950	0.190	2	108.3950	0.036	2	109.0403	1.267	3	109.5412	1.895	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	110.3310	0.000	1	110.3310	0.000	1	109.0403	1.267	3	109.5412	1.895	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	110.3988	2.074	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	109.6395	0.911	2	109.6395	0.831	2	109.7317	0.441	3	110.3988	2.074	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	109.9160	0.000	1	109.9160	0.000	1	109.7317	0.441	3	110.3988	2.074	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:4:2:3:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,2|H<1>}	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	105.4823	0.612	6	105.4823	0.374	6	105.7319	0.776	8	106.1274	2.087	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.4805	1.436	2	106.4805	2.062	2	105.7319	0.776	8	106.1274	2.087	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|H<1>}	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	106.1274	2.087	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.8472	1.132	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	108.4310	0.682	6	108.4310	0.465	6	108.4310	0.465	6	108.8472	1.132	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	110.5910	0.000	1	110.5910	0.000	1	109.6177	2.503	3	108.8472	1.132	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	110.4700	0.000	1	110.4700	0.000	1	109.6177	2.503	3	108.8472	1.132	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	107.7920	0.000	1	107.7920	0.000	1	109.6177	2.503	3	108.8472	1.132	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	109.9070	0.000	1	109.9070	0.000	1	110.3835	0.454	2	110.3835	0.454	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	110.8600	0.000	1	110.8600	0.000	1	110.3835	0.454	2	110.3835	0.454	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:3:2:	4:3:2:2:	C[5]-4:C[5]-4:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O){2|H<1>,8|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:4:2:	2:2:4:4:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.8050	0.738	2	108.8050	0.545	2	109.3180	1.486	4	109.3180	1.486	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	108.6350	0.000	1	108.6350	0.000	1	109.3180	1.486	4	109.3180	1.486	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	3:4:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	111.0270	0.000	1	111.0270	0.000	1	109.3180	1.486	4	109.3180	1.486	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:3:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-3:C-3:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CHH)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCHH)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	105.8724	1.036	28	105.8724	1.074	28	105.8223	1.289	34	105.8223	1.289	34	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CHHP)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	104.9562	0.966	4	104.9562	0.934	4	105.8223	1.289	34	105.8223	1.289	34	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CN[5]HH)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CN[5]HH)(H){4|H<1>}	106.8535	2.353	2	106.8535	5.534	2	105.8223	1.289	34	105.8223	1.289	34	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CC[5]CH)(CCH)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	107.6675	1.447	2	107.6675	2.095	2	107.6675	2.095	2	108.0537	1.495	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:N-3:	O[5](C[5]C[5]HH)(C[5]O[5]CN)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCl3)(NHH)	O[5](C[5]C[5]HH)(C[5]O[5]CN){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{1|C<4>,1|N<3>}	C[5](O[5]C[5])2(CCl3)(NHH){1|C<4>,3|H<1>}	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.0537	1.495	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC)	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	106.5895	0.117	2	106.5895	0.014	2	106.5895	0.014	2	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]2)(O[5]C[5])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	109.4155	0.824	2	109.4155	0.679	2	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,5|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.7500	0.000	1	106.7500	0.000	1	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	105.6490	0.000	1	105.6490	0.000	1	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.8460	0.000	1	106.9360	0.358	4	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.1195	0.960	2	106.9360	0.358	4	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	106.6590	0.000	1	106.9360	0.358	4	107.3718	2.031	8	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,6]C[5,6]C[6,6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	106.5905	0.292	2	106.5905	0.085	2	106.9632	0.598	5	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,6]C[5,6]C[6]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	106.1720	0.000	1	106.1720	0.000	1	106.9632	0.598	5	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|F<1>,4|C<4>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	107.7315	0.473	2	107.7315	0.224	2	106.9632	0.598	5	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[3]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.5970	0.778	4	106.5970	0.605	4	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	105.8830	0.279	2	107.8537	5.582	9	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.1968	2.431	5	107.8537	5.582	9	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[4]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.4665	0.558	2	107.8537	5.582	9	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5]C[5]O[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	106.2990	0.775	4	106.2990	0.601	4	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.6120	0.955	2	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.3050	0.000	1	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.4300	2.751	6	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.3530	0.000	1	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.4068	1.946	71	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.5190	0.865	2	107.4986	3.936	83	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	107.4120	1.886	4	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.9940	0.000	1	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.3360	1.698	2	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.7190	2.178	4	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	105.7780	0.351	2	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.4595	0.496	2	107.2443	2.402	15	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.2220	0.000	1	106.2220	0.000	1	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	105.7030	0.677	2	105.7030	0.459	2	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCHH)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	107.6160	0.739	3	107.6160	0.546	3	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	107.3250	0.827	4	107.2868	2.462	51	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.2836	1.622	47	107.2868	2.462	51	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCCH)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	107.4365	0.917	4	107.4365	0.841	4	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCHH)(CH3)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	107.1883	1.326	14	107.1883	1.759	14	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CCHH)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	108.8495	0.994	6	108.8495	0.987	6	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CC[4]CC)(CH3)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CC[4]CC)(CH3){4|H<1>}	107.9905	1.838	2	107.9905	3.377	2	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CC[6]HH)(CH3)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	108.0457	0.799	4	108.0457	0.639	4	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5])2(CHHN)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	C[5](O[5]C[5])2(CHHN)2{4|H<1>}	107.1580	0.678	4	107.1580	0.460	4	107.4063	2.930	206	107.3876	2.816	221	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,2|H<1>,3|C<4>}	110.8590	0.000	1	110.8590	0.000	1	107.7745	19.028	2	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.6900	0.000	1	104.6900	0.000	1	107.7745	19.028	2	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(H)2{2|H<1>,4|C<4>}	107.4820	0.481	2	107.4820	0.231	2	107.8190	0.456	3	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(H)2{2|H<1>,4|C<4>}	108.4930	0.000	1	108.4930	0.000	1	107.8190	0.456	3	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(C[5]C[5]HH){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[4])(O[5]C[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	104.3550	0.000	1	104.3550	0.000	1	104.3550	0.000	1	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	N[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.7580	0.474	2	109.7580	0.224	2	109.7580	0.224	2	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	107.1273	1.556	4	106.2923	1.560	10	106.1344	6.214	15	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	105.7357	0.652	6	106.2923	1.560	10	106.1344	6.214	15	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{4|H<1>}	105.8187	4.249	5	105.8187	18.053	5	106.1344	6.214	15	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	103.9660	0.000	1	103.9660	0.000	1	103.9660	0.000	1	106.6191	6.502	24	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-3:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH)	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH)	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH){1|C<4>,2|C<3>}	C[5](C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])(O[5]C[5])(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	106.2710	0.000	1	106.2710	0.000	1	105.7233	0.226	3	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	105.4495	0.036	2	105.4495	0.001	2	105.7233	0.226	3	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CC)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	107.8040	0.000	1	107.8040	0.000	1	107.4223	1.813	7	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	106.9935	0.015	2	106.9935	0.000	2	107.4223	1.813	7	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	110.2160	0.000	1	110.2160	0.000	1	107.4223	1.813	7	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	107.1870	0.000	1	107.1870	0.000	1	107.4223	1.813	7	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	106.3810	0.580	2	106.3810	0.336	2	107.4223	1.813	7	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){1|Mg<6>,2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|Mg<6>,1|C<4>,1|H<1>}	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H){4|H<1>}	108.1617	1.349	4	108.1617	1.821	4	108.1617	1.821	4	107.6873	2.705	18	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[3]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	108.0000	0.000	1	108.0000	0.000	1	107.7210	0.202	5	107.2956	0.674	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	107.1020	0.000	1	107.6210	0.539	2	107.7210	0.202	5	107.2956	0.674	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	108.1400	0.000	1	107.6210	0.539	2	107.7210	0.202	5	107.2956	0.674	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6]N[5]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	107.6815	0.411	2	107.6815	0.169	2	107.7210	0.202	5	107.2956	0.674	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|Mn<4>,1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(H)2{1|Mn<4>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	106.2320	0.262	2	106.2320	0.068	2	106.2320	0.068	2	107.2956	0.674	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-3:N[5]-4:O[5]-2:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H){2|C<3>,5|H<1>}	108.4390	0.000	1	108.4390	0.000	1	107.6547	0.881	3	107.0902	1.861	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6]-3:N[5]-4:O[5]-2:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H)	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H){2|C<3>,5|H<1>}	107.2625	0.916	2	107.2625	0.839	2	107.6547	0.881	3	107.0902	1.861	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	107.0902	1.861	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|F<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|F<1>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	106.7700	0.000	1	106.7700	0.000	1	107.6260	1.465	2	108.3020	2.104	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|I<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|I<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	108.4820	0.000	1	108.4820	0.000	1	107.6260	1.465	2	108.3020	2.104	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	3:4:2:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	108.3020	2.104	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3,5]HH)2	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	O[5](C[5]C[3,5]HH)2{1|N<3>,2|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3,5]HH)(C[5]C[5]HH)	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	O[5](C[5]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>}	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x5,6]HH)2	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2	O[5](C[5]C[3x5,6]HH)2{1|C<3>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[3x5,6]2C[5,6])(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|Br<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(O[5]C[5])(H)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	109.2020	0.000	1	109.2020	0.000	1	109.2020	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x5]HH)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	O[5](C[5]C[3x5]HH)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	104.9750	0.000	1	104.5075	0.437	2	104.5075	0.437	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x5]HH)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2	O[5](C[5]C[3x5]HH)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{2|C<4>,2|N<4>,6|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(O[5]C[5])(H)2{2|C<4>,2|N<4>,6|H<1>}	104.0400	0.000	1	104.5075	0.437	2	104.5075	0.437	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH)	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH){1|H<1>,3|C<4>}	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2{1|O<2>,2|C<4>,5|H<1>}	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5,5]HH)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	O[5](C[5]C[4,5,5]HH)2{4|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[4,5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	112.5540	0.000	1	109.3295	20.795	2	109.3295	20.795	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	106.1050	0.000	1	109.3295	20.795	2	109.3295	20.795	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	104.8670	0.000	1	104.8670	0.000	1	104.8670	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.3500	0.550	2	109.4130	0.163	3	109.4130	0.163	3	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.5390	0.000	1	109.4130	0.163	3	109.4130	0.163	3	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[3x5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2	O[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[3x5,6]C[3x5,6]C[5,5,6]O[5,6])(O[5]C[5])(H)2{1|N<3>,2|H<1>,5|C<4>}	105.7520	0.000	1	105.7520	0.000	1	105.7520	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5,6]HH)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,5,6]HH)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5])(H)2{1|N<4>,3|C<4>,6|H<1>}	111.5990	0.837	2	111.5990	0.701	2	111.5990	0.701	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[3x5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	111.9720	0.000	1	111.9720	0.000	1	108.7660	8.838	4	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{1|O<1>,3|C<4>,3|H<1>}	109.1515	0.347	2	107.6973	6.404	3	108.7660	8.838	4	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(O[5]C[5])(H)2{3|C<4>,5|H<1>}	104.7890	0.000	1	107.6973	6.404	3	108.7660	8.838	4	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,3|H<1>}	105.7310	0.000	1	105.7310	0.000	1	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|P<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|P<3>,2|C<4>,2|H<1>}	110.0450	0.000	1	110.8280	1.226	2	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|Fe<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	111.6110	0.000	1	110.8280	1.226	2	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<4>,5|H<1>}	104.1210	0.000	1	103.9970	0.031	2	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	103.8730	0.000	1	103.9970	0.031	2	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	103.8070	0.000	1	103.8070	0.000	1	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{2|C<3>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	106.2270	0.000	1	106.2270	0.000	1	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{1|Ru<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(H)2{1|Si<4>,2|C<4>,2|H<1>}	110.9390	0.000	1	110.9390	0.000	1	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	103.9190	0.000	1	103.9190	0.000	1	106.6970	10.648	9	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6,6]HH)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	104.8560	0.000	1	104.8560	0.000	1	104.8560	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[4,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH)	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5](C[5,6]C[4,5]C[6]2)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2{2|C<4>,2|H<1>,4|C<3>}	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	103.5240	0.000	1	103.5240	0.000	1	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	109.0450	0.000	1	108.9830	0.008	2	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{2|C<4>,5|H<1>}	108.9210	0.000	1	108.9830	0.008	2	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|N<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	110.3820	0.000	1	110.3820	0.000	1	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|S<4>,2|C<3>,4|H<1>}	107.3030	0.000	1	109.8605	2.561	6	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,4|H<1>}	109.7840	0.000	1	109.8605	2.561	6	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	109.7710	0.000	1	109.8605	2.561	6	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,4|H<1>}	109.4190	0.000	1	109.8605	2.561	6	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	111.4430	1.022	2	109.8605	2.561	6	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|H<1>}	109.5330	0.000	1	109.1315	0.322	2	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.7300	0.000	1	109.1315	0.322	2	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{1|Ru<11>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Ru)(O[5]C[5])(H)2{2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2Ru)(O[5]C[5])(H)2{2|H<1>,3|C<4>}	109.7395	1.336	2	109.7395	1.784	2	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	109.5580	0.000	1	109.5580	0.000	1	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)2	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)2{2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	109.1040	0.000	1	109.1040	0.000	1	109.2149	3.465	16	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:D-1:D-1:	C[5]-4:O[5]-2:D-1:D-1:	O[5](C[5]C[5]DD)2	C[5](C[5]C[5]DD)(O[5]C[5])(D)2	C[5](C[5]C[5]DD)(O[5]C[5])(D)2	O[5](C[5]C[5]DD)2{4|D<1>}	C[5](C[5]C[5]DD)(O[5]C[5])(D)2{4|D<1>}	C[5](C[5]C[5]DD)(O[5]C[5])(D)2{4|D<1>}	109.2135	0.742	2	109.2135	0.550	2	109.2135	0.550	2	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	108.4400	0.000	1	108.4400	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	104.4865	0.847	6	105.0063	2.489	7	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	108.1250	0.000	1	105.0063	2.489	7	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]N[5a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	109.9140	0.000	1	109.9140	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]C)(O[5]C[5])(H)2{3|C<3>,3|H<1>}	109.9590	0.000	1	109.9590	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(H)2{4|H<1>}	109.7020	0.000	1	109.7020	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{4|H<1>}	107.3553	3.572	2034	107.3553	12.756	2034	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{4|H<1>}	106.0790	0.000	1	106.0790	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|Ru<11>,2|C<4>}	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]RuC)(O[5]C[5])(H)2{1|C<4>,2|H<1>}	108.6560	0.000	1	108.6560	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	108.7000	0.000	1	108.7000	0.000	1	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	105.6975	0.518	4	105.6975	0.269	4	107.3489	12.688	2052	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|Cu<5>,3|H<1>}	C[5](N[5]C[5]CuH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	105.7520	0.000	1	105.7520	0.000	1	105.7520	0.000	1	107.3675	12.552	2105	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[3,5]HH)(C[5]C[3,5]HO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(O[5]C[5])(H)2{1|C<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CN)(H){2|C<4>,5|H<1>}	107.4195	2.600	2	107.4195	6.760	2	107.4195	6.760	2	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(H)2{2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	105.6890	0.141	2	105.6890	0.020	2	105.8940	0.136	3	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.3040	0.000	1	106.3040	0.000	1	105.8940	0.136	3	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	110.0360	0.000	2	110.0360	0.000	2	110.1514	0.866	7	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	110.5430	0.000	1	110.5430	0.000	1	110.1514	0.866	7	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	110.7690	0.000	1	110.7690	0.000	1	110.1514	0.866	7	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	108.2170	0.000	1	109.8920	2.217	3	110.1514	0.866	7	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	110.7295	0.476	2	109.8920	2.217	3	110.1514	0.866	7	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	108.1480	2.260	3	108.5235	3.970	4	108.7312	3.193	5	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	109.6500	0.000	1	108.5235	3.970	4	108.7312	3.193	5	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	109.5620	0.000	1	109.5620	0.000	1	108.7312	3.193	5	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C-4:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](CC[6a]2H)(O[5]C[5])2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](CC[6a]2H)(O[5]C[5])2(H){4|H<1>}	106.7260	1.642	4	106.7260	2.697	4	106.5289	2.394	14	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C-4:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	C[5](CN[5a]HH)(O[5]C[5])2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	C[5](CN[5a]HH)(O[5]C[5])2(H){4|H<1>}	106.4501	1.592	10	106.4501	2.534	10	106.5289	2.394	14	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(ON)(H){4|H<1>}	108.8710	0.000	1	108.8710	0.000	1	108.6328	1.398	4	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	106.8970	0.000	1	106.8970	0.000	1	108.6328	1.398	4	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	109.3815	0.050	2	109.3815	0.003	2	108.6328	1.398	4	107.8585	4.101	36	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-3:Br-1:	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br)	O[5](C[5]C[5,5]BrC)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(COO)(Br){1|C<4>,1|O<2>,3|H<1>}	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCH)(H){1|C<3>,1|N<3>,3|H<1>}	104.5510	0.000	1	104.5510	0.000	1	104.5510	0.000	1	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]HH)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5,6]HH)(C[5]C[5]CH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCH)(H){2|C<4>,2|H<1>}	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)(H){4|H<1>}	109.4550	0.000	1	109.4550	0.000	1	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(H){4|H<1>}	105.4120	0.000	1	105.4120	0.000	1	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHN)(H){4|H<1>}	103.1620	0.000	1	103.1620	0.000	1	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){4|H<1>}	109.4980	0.000	1	109.4980	0.000	1	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|O<2>,3|H<1>}	109.7150	0.000	1	109.7150	0.000	1	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){1|O<2>,3|H<1>}	109.1340	0.423	2	109.1340	0.179	2	107.9300	6.687	7	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:N-3:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HN){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NHS)(H){4|H<1>}	108.7530	0.660	2	108.7530	0.436	2	108.7530	0.436	2	107.7517	5.103	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:3:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:O-2:	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	107.7600	0.000	1	107.7600	0.000	1	107.5505	0.088	2	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	107.3410	0.000	1	107.3410	0.000	1	107.5505	0.088	2	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	104.7500	0.000	1	104.7500	0.000	1	104.7500	0.000	1	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	105.5190	0.000	1	105.5190	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	106.9060	0.000	1	106.9060	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	107.4560	4.380	2	107.4560	19.183	2	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	109.0080	0.000	1	109.0080	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	108.6724	2.111	7	108.6724	4.455	7	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	110.3310	0.000	1	110.3310	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	108.3575	0.894	2	108.3575	0.800	2	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	106.0050	0.000	1	106.0050	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	106.0440	0.000	1	106.0440	0.000	1	108.0086	4.521	17	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:P-4:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HP)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H)	O[5](C[5]C[5]HH)(C[5]C[5]HP){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(PCCH)(H){4|H<1>}	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Ru<6>,1|C<3>,2|H<1>}	C[5](N[5]C[5]RuH)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	107.6072	4.144	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	107.4680	4.458	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	O[5](C[5]C[5]CO)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	107.4680	4.458	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	O[5](C[5]C[5]CC)(C[5]C[5]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:1:1:	5:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-5:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)2	C[5](C[5]C[5]HW)(O[5]C[5])(H)2	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)2{1|C<4>,1|W<9>,2|H<1>}	C[5](C[5]C[5]HW)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CHW)(O[5]C[5])(H)2{3|H<1>}	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	2:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	O[5]-2:S[5]-2:C-3:H-1:	O[5](C[5]C[5]HO)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	C[5](O[5]C[5])(S[5]C[5])(COO)(H)	O[5](C[5]C[5]HO)(C[5]S[5]CH){2|H<1>}	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	C[5](O[5]C[5])(S[5]C[5])(COO)(H){1|O<2>,3|H<1>}	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	107.7810	0.000	1	107.7810	0.000	1	108.2565	0.452	2	108.2565	0.452	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CN)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<2>,2|H<1>}	108.7320	0.000	1	108.7320	0.000	1	108.2565	0.452	2	108.2565	0.452	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	109.3950	0.214	2	109.3950	0.046	2	109.0663	0.347	3	109.0663	0.347	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<2>,3|H<1>}	108.4090	0.000	1	108.4090	0.000	1	109.0663	0.347	3	109.0663	0.347	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[3x6]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3x6]C[6,6,6a]2C[3x6])(O[5]C[5])2(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	104.6900	2.448	4	104.6900	5.992	4	104.6900	5.992	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	106.5072	1.315	4	106.5072	1.730	4	106.5072	1.730	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	105.5620	0.000	1	105.5620	0.000	1	105.4010	0.209	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	105.1980	0.000	1	105.1980	0.000	1	105.4010	0.209	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	105.9500	0.000	1	105.9500	0.000	1	105.4010	0.209	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]C[5,5]HO){2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	104.8940	0.000	1	104.8940	0.000	1	105.4010	0.209	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]HO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	105.5115	2.541	2	105.5115	6.455	2	105.8955	3.379	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])2(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	106.2795	1.759	2	106.2795	3.093	2	105.8955	3.379	4	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[6]C[4,5,6,6]C[5,6]H)(O[5]C[5])2(H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	106.8792	0.632	8	106.8792	0.399	8	106.7388	0.724	12	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|H<1>,3|C<4>}	C[5](C[6]C[6,6]C[6]C)(O[5]C[5])2(H){4|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	107.0060	1.830	2	107.0060	3.349	2	106.7388	0.724	12	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[6]C[6,6]C[6]H)(O[5]C[5])2(H){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<4>,1|H<1>}	105.9100	0.375	2	105.9100	0.140	2	106.7388	0.724	12	106.2590	2.774	29	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,6,6]HO)(C[5]C[5,6]HO){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	111.2800	0.478	2	111.2800	0.228	2	111.2800	0.228	2	109.7286	2.388	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]HO)2	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]HO)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.7286	2.388	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO){1|O<2>,4|C<4>}	C[5](C[5]C[5]2O)(O[5]C[5,5])(O[5]C[5])(H){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	109.7286	2.388	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO)	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	O[5](C[5]C[5]O[5]H)(C[5]C[5,6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5,5]O[5]H)(O[5]C[5,6])(O[5]C[5])(H){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.7286	2.388	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[6]C[6]2H)(O[5]C[5])2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6]C[6]2H)(O[5]C[5])2(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<4>,1|H<1>}	106.0570	0.392	2	106.0570	0.153	2	106.0570	0.153	2	106.0570	0.153	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	108.9240	0.000	1	108.9240	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	107.6810	2.628	2	107.6810	6.904	2	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	109.8310	0.000	1	109.8310	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|H<1>,2|N<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	110.1150	0.000	1	110.1150	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	106.9110	0.000	1	106.9110	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	110.6250	0.737	3	110.6250	0.543	3	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	109.7180	1.260	2	109.7180	1.588	2	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	109.7774	0.949	5	109.7774	0.900	5	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	110.0280	0.000	1	110.0280	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	108.9530	0.000	1	108.9530	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	109.8050	0.783	2	109.8050	0.614	2	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	111.0110	0.000	1	111.0110	0.000	1	109.5687	1.758	21	109.3675	2.214	23	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	O[5](C[5]C[5]CC)(C[5]C[5]HO){1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|O<2>,2|C<4>,4|H<1>}	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:2:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-2:C-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	107.8560	0.000	1	106.9562	2.807	5	106.9562	2.807	5	107.1793	2.017	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:2:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-2:C-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	106.7313	1.845	4	106.9562	2.807	5	106.9562	2.807	5	107.1793	2.017	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:2:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-2:C-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	107.7130	0.000	1	107.7370	0.001	2	107.7370	0.001	2	107.1793	2.017	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:2:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-2:C-2:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	107.7610	0.000	1	107.7370	0.001	2	107.7370	0.001	2	107.1793	2.017	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:O-2:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]HH)(C[5]C[5,5]OO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{2|C<4>,2|O<2>,3|H<1>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	107.5415	0.947	4	107.5415	0.898	4	108.2445	7.673	12	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	108.5960	3.354	8	108.5960	11.249	8	108.2445	7.673	12	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<4>,1|H<1>,2|O<2>}	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3){4|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	107.0305	1.356	2	107.0305	1.837	2	106.8809	1.724	8	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	106.4770	1.529	4	106.4770	2.338	4	106.8809	1.724	8	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3){2|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	107.5390	1.286	2	107.5390	1.653	2	106.8809	1.724	8	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){2|H<1>,3|C<4>}	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	108.1005	1.449	2	108.1005	2.099	2	107.7435	1.501	4	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3)	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){1|Cr<9>,2|C<4>,2|H<1>}	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3){2|C<4>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{2|C<4>}	107.3865	1.377	2	107.3865	1.895	2	107.7435	1.501	4	107.7026	4.580	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|I<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	110.9070	0.000	1	110.9070	0.000	1	110.7339	0.791	11	110.7339	0.791	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	112.0210	0.000	1	112.0210	0.000	1	110.7339	0.791	11	110.7339	0.791	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	110.5717	0.865	9	110.5717	0.749	9	110.7339	0.791	11	110.7339	0.791	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H)	C[5](O[5]C[5])2(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]CH)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]CH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCC)(H){1|O<2>,2|H<1>,5|C<4>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	105.8845	0.824	2	105.8845	0.679	2	105.8845	0.679	2	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.5570	0.000	1	109.2980	0.134	2	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.0390	0.000	1	109.2980	0.134	2	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	107.8235	2.381	2	107.8235	5.668	2	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CClO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	110.4395	0.257	2	110.4395	0.066	2	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	106.6670	0.000	1	106.6670	0.000	1	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	109.2330	0.228	2	109.2330	0.052	2	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]H)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	107.3950	0.000	1	107.3950	0.000	1	108.7650	2.287	10	108.2849	3.190	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(CNO)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	106.3042	1.836	6	106.3042	3.369	6	106.9276	5.556	12	106.9276	5.556	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](C[5]O[5]CH)(O[5]C[5])(COO)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	107.5510	2.814	6	107.5510	7.920	6	106.9276	5.556	12	106.9276	5.556	12	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.9153	2.140	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]HN){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|N<3>,3|H<1>}	108.4350	1.631	2	108.4350	2.659	2	108.4350	2.659	2	107.9153	2.140	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H)	O[5](C[5]C[5]CH)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(COO)(H){2|C<3>,2|H<1>}	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CNO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	109.6913	0.335	3	109.6913	0.112	3	109.3674	0.193	7	108.8693	1.050	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	109.1245	0.358	4	109.1245	0.128	4	109.3674	0.193	7	108.8693	1.050	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NCC)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.0790	0.000	1	108.0790	0.000	1	107.9975	1.521	4	108.8693	1.050	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	108.3420	0.000	1	108.3420	0.000	1	107.9975	1.521	4	108.8693	1.050	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(NC[6a]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	107.7845	2.085	2	107.7845	4.348	2	107.9975	1.521	4	108.8693	1.050	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	106.5760	0.000	1	106.5760	0.000	1	106.5330	0.020	3	106.5330	0.020	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-3:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	106.5115	0.192	2	106.5115	0.037	2	106.5330	0.020	3	106.5330	0.020	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:3:3:	3:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-3:C-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC){5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C[5](O[5]C[5])2(H)2{2|C<4>,2|H<1>}	107.4665	0.600	2	107.4665	0.360	2	106.3748	4.068	4	106.3748	4.068	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	C[5](O[5]C[5])2(H)2{2|C<4>,2|H<1>}	103.4020	0.000	1	103.4020	0.000	1	106.3748	4.068	4	106.3748	4.068	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	C[5](O[5]C[5])2(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	C[5](O[5]C[5])2(H)2{2|C<4>,2|H<1>}	107.1640	0.000	1	107.1640	0.000	1	106.3748	4.068	4	106.3748	4.068	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]HO)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	C[5](O[5]C[5])2(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]HO){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	C[5](O[5]C[5])2(OC)(H){2|C<4>,2|H<1>}	106.8335	3.714	2	106.8335	13.797	2	106.8335	13.797	2	106.8335	13.797	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](O[5]C[5])2(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	105.4950	0.000	1	105.4950	0.000	1	111.8473	30.362	3	111.8473	30.362	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C[5](O[5]C[5])2(CCCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(CCCH)(H){2|C<4>,2|H<1>}	115.0235	0.443	2	115.0235	0.197	2	111.8473	30.362	3	111.8473	30.362	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:N-3:	O[5](C[5]C[5]CH)(C[5]O[5]CN)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CCl3)(NHH)	O[5](C[5]C[5]CH)(C[5]O[5]CN){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	C[5](O[5]C[5])2(CCl3)(NHH){1|C<4>,3|H<1>}	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]CH)(C[5]O[5]CC)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]CH)(C[5]O[5]CC){2|C<4>}	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	105.3750	0.000	1	105.3750	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.6610	0.000	1	107.6610	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.0760	0.124	2	109.0760	0.015	2	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.6503	0.582	3	109.6503	0.338	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	106.1060	0.000	1	106.1060	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	106.3015	0.028	2	106.3015	0.001	2	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.6020	0.000	1	109.6020	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	107.1550	0.000	1	107.1550	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.9130	0.000	1	108.9130	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	107.3575	1.090	2	107.3575	1.187	2	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	109.7090	0.000	1	109.7090	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	107.3280	2.208	3	107.3280	4.874	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.4380	0.000	1	107.4380	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	106.5660	0.000	1	106.5660	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	107.0652	1.339	5	107.0652	1.793	5	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.4590	0.000	1	108.3805	1.828	21	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.4766	1.312	20	108.3805	1.828	21	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.7040	0.000	1	108.6232	1.851	13	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.5332	1.380	12	108.6232	1.851	13	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.0435	1.323	2	108.0008	3.107	18	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.1204	1.808	16	108.0008	3.107	18	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	109.1400	0.000	1	108.3187	2.665	24	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.5593	1.596	3	108.3187	2.665	24	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.3915	1.681	20	108.3187	2.665	24	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.7010	0.000	1	109.7010	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	105.2300	0.000	1	105.2300	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	108.8130	0.000	1	107.7697	1.575	7	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	107.5958	1.279	6	107.7697	1.575	7	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.4697	1.892	3	108.4697	3.581	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.2987	1.712	6	108.2987	2.931	6	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.4690	1.452	2	108.4690	2.109	2	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	105.9560	0.000	1	108.3329	2.208	9	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.6300	1.271	8	108.3329	2.208	9	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.0861	1.016	8	108.0861	1.031	8	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.5600	1.542	6	108.5600	2.377	6	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.5110	0.000	1	109.5110	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.3810	0.817	3	108.3810	0.668	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.1070	0.000	1	108.1070	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.4267	0.826	4	108.4267	0.681	4	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.6024	0.872	11	108.6024	0.761	11	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.2440	0.000	1	107.2440	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.0720	0.000	1	107.0720	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C[5](O[5]C[5])2(CCHH)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	108.5567	0.901	3	108.5567	0.811	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.8102	0.983	6	107.8102	0.966	6	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.8270	0.871	3	108.8270	0.759	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.4760	1.519	3	107.4760	2.306	3	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.3140	0.000	1	109.3140	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.4759	1.135	9	108.4759	1.288	9	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.9060	0.000	1	106.9060	0.000	1	108.2100	1.941	194	108.1982	1.958	195	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.4490	0.420	2	110.4490	0.176	2	110.4490	0.176	2	110.4490	0.176	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.6711	0.845	8	109.5520	0.752	9	109.5520	0.752	9	109.6109	0.644	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.5990	0.000	1	109.5520	0.752	9	109.5520	0.752	9	109.6109	0.644	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	N[5,6]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.6109	0.644	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.6109	0.644	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	109.7775	2.377	2	109.7775	5.648	2	110.0840	7.155	4	110.0840	7.155	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	113.1690	0.000	1	113.1690	0.000	1	110.0840	7.155	4	110.0840	7.155	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	107.6120	0.000	1	107.6120	0.000	1	110.0840	7.155	4	110.0840	7.155	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	3:4:2:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-3:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	109.6230	0.238	3	109.6230	0.057	3	109.6230	0.057	3	109.6230	0.057	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|Fe<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(H)2{1|Si<4>,1|H<1>,3|C<4>}	110.3730	0.822	2	110.3730	0.675	2	109.2373	4.207	3	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	106.9660	0.000	1	106.9660	0.000	1	109.2373	4.207	3	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5])(H)2{1|O<2>,3|C<4>,6|H<1>}	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	110.0380	0.000	1	110.0380	0.000	1	107.4670	13.220	2	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	104.8960	0.000	1	104.8960	0.000	1	107.4670	13.220	2	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	109.5410	0.000	1	109.5410	0.000	1	109.2118	1.402	6	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	109.6890	0.481	3	109.6890	0.231	3	109.2118	1.402	6	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	108.3315	2.051	2	108.3315	4.208	2	109.2118	1.402	6	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	C[5](N[5]C[5]CuC)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	103.7920	0.718	2	103.7920	0.516	2	103.7920	0.516	2	108.3591	6.018	15	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:O[5]-2:S-2:H-1:	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	106.6440	0.000	1	106.6440	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	108.5740	0.000	1	108.5740	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	106.0460	0.000	1	106.0460	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	105.2150	0.000	1	105.2150	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	106.0710	0.000	1	106.0710	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	108.2340	0.000	1	108.2340	0.000	1	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	108.5920	0.291	2	108.5920	0.085	2	107.2460	1.965	8	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	109.5375	0.276	2	109.5375	0.076	2	109.5375	0.076	2	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-2:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC)(H){1|C<4>,3|H<1>}	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	109.8600	0.000	1	109.8600	0.000	1	108.6766	2.305	5	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	109.7225	0.428	2	109.7225	0.183	2	108.6766	2.305	5	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	107.2450	0.000	1	107.2450	0.000	1	108.6766	2.305	5	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|Se<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	106.8330	0.000	1	106.8330	0.000	1	108.6766	2.305	5	108.1262	2.433	17	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:N-3:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	110.5190	0.218	2	110.5190	0.047	2	110.5190	0.047	2	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	109.9340	0.000	1	109.7583	0.024	3	109.5450	0.198	4	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	109.7030	0.000	1	109.7583	0.024	3	109.5450	0.198	4	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){3|H<1>,4|C<4>}	109.6380	0.000	1	109.7583	0.024	3	109.5450	0.198	4	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCO)(H){1|C<3>,3|C<4>,3|H<1>}	108.9050	0.000	1	108.9050	0.000	1	109.5450	0.198	4	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)(H){1|C<4>,3|H<1>}	108.9320	0.000	1	108.9320	0.000	1	107.3040	5.301	2	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCH)(H){1|C<4>,3|H<1>}	105.6760	0.000	1	105.6760	0.000	1	107.3040	5.301	2	109.2283	2.440	8	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:N-2:	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	110.8410	0.593	2	110.9290	0.199	3	110.9290	0.199	3	110.9290	0.199	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:N-2:	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<2>,2|H<1>}	111.1050	0.000	1	110.9290	0.199	3	110.9290	0.199	3	110.9290	0.199	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:3:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|C<4>,2|C<3>,2|H<1>}	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:3:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-3:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5,6]CH)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5,6]CH)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5,5]CH)2{1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	106.2410	0.000	1	106.2410	0.000	1	106.2410	0.000	1	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	111.0745	0.897	4	111.3310	0.644	6	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	111.8440	0.130	2	111.3310	0.644	6	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	109.9410	0.000	1	108.5975	3.610	2	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	107.2540	0.000	1	108.5975	3.610	2	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	110.9260	0.000	1	110.9260	0.000	1	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	110.1460	0.000	1	110.1460	0.000	1	110.6253	2.040	10	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	106.8080	0.000	1	106.8080	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	105.5620	0.000	1	105.5620	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	107.9835	2.490	2	107.9835	6.199	2	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	107.0310	0.000	1	107.0310	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|Br<1>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	111.6940	0.000	1	111.6940	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	108.2060	0.511	5	108.2060	0.262	5	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	108.3760	0.000	1	108.3760	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	107.7920	0.000	1	107.7920	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	107.9830	0.000	1	107.9830	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	109.4673	0.304	4	109.4673	0.092	4	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	106.0430	0.000	1	106.0430	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	109.0751	1.778	7	109.0751	3.161	7	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	110.4670	0.000	1	110.4670	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	110.3050	0.000	1	110.3050	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	110.9875	0.500	2	110.9875	0.250	2	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	108.3108	1.535	5	108.3108	2.357	5	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	106.5100	0.000	1	106.5100	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	105.7790	0.000	1	105.7790	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	109.2610	0.000	1	109.2610	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	109.8880	0.000	1	109.8880	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	110.9135	0.375	2	110.9135	0.141	2	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)2{1|I<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	109.0910	0.000	1	109.0910	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CH)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	108.9710	0.000	1	108.9710	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	108.9040	0.000	1	108.9040	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	111.5760	0.000	1	111.5760	0.000	1	108.7953	2.852	45	109.0748	3.204	57	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	111.4060	0.000	1	111.4060	0.000	1	110.7796	1.339	9	110.7796	1.339	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	109.3227	0.332	3	109.3227	0.110	3	110.7796	1.339	9	110.7796	1.339	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	111.5284	0.481	5	111.5284	0.231	5	110.7796	1.339	9	110.7796	1.339	9	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]CH)(C[5]C[5]CC)	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]CH)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.3480	4.095	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	106.8065	0.689	2	106.8065	0.475	2	108.1920	5.996	3	108.3480	4.095	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	110.9630	0.000	1	110.9630	0.000	1	108.1920	5.996	3	108.3480	4.095	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	106.6792	0.510	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	C[5](C[5]C[5]CN)(O[5]C[5])(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CN)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	106.3427	0.292	3	106.3427	0.085	3	106.3427	0.085	3	106.6792	0.510	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	111.0900	0.000	1	111.0900	0.000	1	110.2959	1.372	7	110.2959	1.372	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	110.7108	1.134	4	110.7108	1.286	4	110.2959	1.372	7	110.2959	1.372	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	108.9160	0.000	1	108.9160	0.000	1	110.2959	1.372	7	110.2959	1.372	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	109.2220	0.000	1	109.2220	0.000	1	110.2959	1.372	7	110.2959	1.372	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:2:	4:2:4:3:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:3:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-3:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:3:	4:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	O[5](C[5]C[5]CC)2{4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	109.2960	0.000	1	109.2960	0.000	1	109.0187	0.063	3	109.0187	0.063	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CC)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.8800	0.106	2	108.8800	0.011	2	109.0187	0.063	3	109.0187	0.063	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	3:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	109.6250	3.487	2	109.6250	12.162	2	109.6250	12.162	2	109.6250	12.162	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CC)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	110.9670	0.000	2	110.9670	0.000	2	110.9670	0.000	2	110.9670	0.000	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{2|C<3>,2|C<4>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	109.7651	0.995	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|O<2>,2|H<1>,4|C<4>}	110.2140	0.000	1	110.2140	0.000	1	110.3048	0.129	5	109.7651	0.995	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.5125	0.359	2	110.3275	0.168	4	110.3048	0.129	5	109.7651	0.995	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1425	0.489	2	110.3275	0.168	4	110.3048	0.129	5	109.7651	0.995	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<3>,1|H<1>,2|C<4>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	109.7651	0.995	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	110.3750	0.000	1	110.3750	0.000	1	109.5575	1.337	2	109.5575	1.337	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(COO)(H){2|C<4>,2|H<1>}	108.7400	0.000	1	108.7400	0.000	1	109.5575	1.337	2	109.5575	1.337	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:3:2:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:C-3:O-2:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	110.6170	0.000	1	110.6170	0.000	1	109.3735	2.620	4	109.3735	2.620	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	109.0050	0.000	1	109.0050	0.000	1	109.3735	2.620	4	109.3735	2.620	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	110.6380	0.000	1	110.6380	0.000	1	109.3735	2.620	4	109.3735	2.620	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	107.2340	0.000	1	107.2340	0.000	1	109.3735	2.620	4	109.3735	2.620	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	111.2160	5.951	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	111.2160	5.951	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO)	O[5](C[5]C[5]CC)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO){2|C<4>,2|H<1>}	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]CC)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]CC)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	2:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	O[5]-2:S[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	113.3791	0.778	25	113.3791	0.605	25	113.3791	0.605	25	113.3791	0.605	25	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H){1|Pd<4>,2|C<3>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	107.4160	0.965	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	107.3550	1.285	4	107.3550	1.652	4	107.3550	1.652	4	107.4160	0.965	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	107.3950	0.000	1	107.1590	0.111	2	107.1590	0.111	2	107.4160	0.965	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	106.9230	0.000	1	107.1590	0.111	2	107.1590	0.111	2	107.4160	0.965	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	108.5510	0.000	1	108.5245	0.001	2	108.5245	0.001	2	108.4377	2.036	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	108.4980	0.000	1	108.5245	0.001	2	108.5245	0.001	2	108.4377	2.036	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	108.4377	2.036	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	108.4377	2.036	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	108.9480	3.722	2	108.9480	13.855	2	108.9480	13.855	2	108.9480	13.855	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	3:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]N[5]CH)(O[5]C[5])(H)2	O[5](C[5]C[3x6]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]N[5]CH)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	107.5695	0.622	2	107.5695	0.386	2	107.5695	0.386	2	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.8400	4.278	2	107.8400	18.301	2	107.8400	18.301	2	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|N<3>,3|C<3>,3|H<1>}	104.2780	0.000	2	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|O<2>,3|C<3>,3|H<1>}	104.2350	0.316	3	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	105.8350	0.000	1	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.7677	1.581	24	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.0540	0.000	1	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.7105	1.795	2	105.6060	2.293	33	105.6060	2.293	33	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	108.6730	0.000	1	108.6730	0.000	1	108.2675	0.329	2	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	107.8620	0.000	1	107.8620	0.000	1	108.2675	0.329	2	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(H)2{2|C<3>,3|C<4>,5|H<1>}	104.2660	0.000	1	104.2660	0.000	1	104.2660	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(O[5]C[5])(H)2{2|C<3>,2|C<4>,4|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[5](C[5]C[5,6]CH)(O[5]C[5])(H)2{1|H<1>,3|C<3>}	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH)	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|Br<1>,1|N<3>,2|H<1>}	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5,5]-4:C[6]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]N[5,5]C[6]H)(C[5]C[5,5]HH){1|Fe<6>,1|C<3>,1|N<3>,3|C<4>}	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(H)2{1|Fe<6>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	104.4600	1.157	4	104.4600	1.339	4	104.4600	1.339	4	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Pd<4>,1|H<1>,2|C<3>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	105.3335	0.641	2	105.3335	0.411	2	105.3335	0.411	2	106.2381	4.349	53	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C-4:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](CC[6a]2C)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	103.4520	0.000	1	103.4520	0.000	1	103.4520	0.000	1	103.4520	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:3:3:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-3:C-3:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(COO)2{1|H<1>,2|C<4>,3|C<3>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.5000	0.466	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:3:3:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.5000	0.466	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:3:3:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC){1|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2{1|H<1>,5|C<3>}	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.5000	0.466	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	110.6907	0.450	3	110.6907	0.203	3	110.6907	0.203	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	107.7320	0.000	1	107.7320	0.000	1	108.3665	0.805	2	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	109.0010	0.000	1	109.0010	0.000	1	108.3665	0.805	2	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.3640	0.000	1	111.3640	0.000	1	111.3640	0.000	1	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.4930	0.000	1	111.4930	0.000	1	109.4937	3.804	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.5960	0.000	1	107.5960	0.000	1	109.4937	3.804	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.4937	3.804	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.4740	0.000	1	108.4740	0.000	1	109.2363	0.441	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.6175	0.097	2	109.6175	0.009	2	109.2363	0.441	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.4345	1.638	2	111.3643	1.357	3	111.3643	1.357	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.2240	0.000	1	111.3643	1.357	3	111.3643	1.357	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	111.1430	0.000	1	111.1430	0.000	1	110.9695	0.060	2	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	110.7960	0.000	1	110.7960	0.000	1	110.9695	0.060	2	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH){1|H<1>,5|C<3>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	109.7780	0.000	1	109.7780	0.000	1	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	109.7340	0.000	1	109.7340	0.000	1	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	110.2720	0.000	1	110.2720	0.000	1	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.2335	0.277	4	110.2335	0.076	4	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	107.1470	0.000	1	107.1470	0.000	1	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	110.4700	0.000	1	109.5838	1.235	9	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.4700	1.667	3	109.5838	1.235	9	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.1635	1.324	2	109.5838	1.235	9	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.9345	0.991	2	109.5838	1.235	9	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	109.1780	0.000	1	109.5838	1.235	9	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	110.0110	0.000	1	110.0110	0.000	1	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	111.1210	0.000	1	110.6813	0.147	3	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	110.4615	0.063	2	110.6813	0.147	3	109.8178	1.061	21	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	110.0980	0.240	2	110.0980	0.058	2	109.8800	0.171	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	109.4440	0.000	1	109.4440	0.000	1	109.8800	0.171	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	109.7540	0.829	2	109.7540	0.687	2	109.7147	0.348	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.7147	0.348	3	109.7857	1.842	47	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	107.0740	0.728	2	107.0740	0.530	2	107.0740	0.530	2	107.0740	0.530	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	106.8240	1.510	2	106.8240	2.281	2	106.8210	1.141	3	107.9248	5.295	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	106.8150	0.000	1	106.8150	0.000	1	106.8210	1.141	3	107.9248	5.295	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	105.5420	0.000	1	105.5420	0.000	1	105.5420	0.000	1	107.9248	5.295	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,6]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,6]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	106.3175	0.940	2	106.3175	0.883	2	106.3175	0.883	2	107.9248	5.295	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	109.1974	2.399	7	109.1974	5.757	7	109.1974	5.757	7	107.9248	5.295	13	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:2:3:	C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H){1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:3:3:2:	C[5]-4:C[5]-4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,6|C<3>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	103.1520	0.000	1	103.1520	0.000	1	103.1520	0.000	1	103.1520	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|C<3>,1|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]2H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	108.2210	0.000	1	108.2210	0.000	1	108.8445	0.778	2	108.8445	0.778	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|N<3>,1|S<2>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S[5]H)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	109.4680	0.000	1	109.4680	0.000	1	108.8445	0.778	2	108.8445	0.778	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:4:2:3:	C[5]-4:C[5]-4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C-4:O[5]-2:C-3:	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,3|H<1>}	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	109.3345	4.121	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:1:	4:4:2:3:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C-4:O[5]-2:C-3:	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	109.3345	4.121	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:2:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:O-2:	C[5]-3:O[5]-2:O-2:H-1:	O[5](C[5]C[5]2O)(C[5]C[5]HO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]2O)(C[5]C[5]HO){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){2|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|Br<1>,1|C<3>,1|O<2>}	109.3805	0.193	2	109.3805	0.037	2	109.3805	0.037	2	107.0177	4.390	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	106.7745	2.044	6	106.7745	4.178	6	106.4270	3.645	8	107.0177	4.390	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	105.3845	1.313	2	105.3845	1.724	2	106.4270	3.645	8	107.0177	4.390	10	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:2:	4:2:4:2:	C[5]-4:C[5]-4:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[3,5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	108.3295	4.382	2	108.3295	19.201	2	108.3295	19.201	2	108.3295	19.201	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	104.4230	0.000	1	104.4230	0.000	1	107.2635	16.137	2	107.2635	16.137	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	110.1040	0.000	1	110.1040	0.000	1	107.2635	16.137	2	107.2635	16.137	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]N[6a]C)(C[5]C[5,5]HH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	108.5165	0.033	2	108.5165	0.001	2	108.5165	0.001	2	108.5165	0.001	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	4:2:3:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCH)(H){1|H<1>,3|C<3>}	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:3:	4:3:2:3:	C[5]-4:C[5]-4:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	110.0755	0.443	2	110.0755	0.197	2	110.0755	0.197	2	110.0755	0.197	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:4:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:2:4:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5](CC[6a]2C)(O[5]C[5])2(H)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:3:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H)2{1|C<3>,2|C<4>}	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:3:3:2:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	102.1240	0.000	1	102.1240	0.000	1	102.1240	0.000	1	102.1240	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:3:3:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-3:C-3:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CHH)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CHH)2{1|C<4>,3|H<1>}	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.1465	0.511	2	109.2477	0.101	4	109.0624	0.248	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.3200	0.000	1	109.2477	0.101	4	109.0624	0.248	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.3780	0.000	1	109.2477	0.101	4	109.0624	0.248	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.3210	0.000	1	108.3210	0.000	1	109.0624	0.248	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.6100	0.000	1	108.6100	0.000	1	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.0235	0.769	2	108.0235	0.591	2	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.5720	0.321	2	108.5720	0.103	2	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	110.4210	0.000	1	109.9935	0.366	2	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.5660	0.000	1	109.9935	0.366	2	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[4]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.1485	1.175	2	108.1485	1.379	2	108.6761	0.918	9	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	107.1915	0.276	2	107.1915	0.076	2	107.1915	0.076	2	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC)	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,5,6]C[5,6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.7270	0.000	1	108.7270	0.000	1	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	105.3060	0.412	2	105.3060	0.169	2	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	110.1278	1.205	8	110.1278	1.452	8	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C[5](O[5]C[5])2(CCCH)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CCCH)2{2|C<4>,2|H<1>}	109.6527	0.416	4	109.6527	0.173	4	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.3348	1.375	57	109.3348	1.892	57	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.6395	1.620	2	108.6395	2.624	2	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	106.5055	0.215	4	106.5055	0.046	4	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.6560	0.000	1	107.6560	0.000	1	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.6350	0.000	1	108.6350	0.000	1	109.1331	2.416	80	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.1500	0.000	1	109.1500	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	107.8340	0.000	1	107.8340	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.4333	1.085	3	108.4333	1.178	3	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.7953	0.702	4	108.2124	1.024	19	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.8340	0.000	1	108.2124	1.024	19	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.8238	1.032	12	108.2124	1.024	19	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.0675	0.469	2	108.2124	1.024	19	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	110.5210	0.000	1	109.1950	1.557	3	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.5320	0.690	2	109.1950	1.557	3	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.1510	0.000	1	109.1510	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.2140	0.092	2	108.2140	0.008	2	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|S<4>,2|H<1>,2|O<2>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.7180	0.000	2	109.7180	0.000	2	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	106.7940	0.000	1	106.7940	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.2420	0.000	1	108.5133	1.314	3	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.1490	1.353	2	108.5133	1.314	3	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	110.2620	0.000	1	108.9386	1.201	14	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	109.3590	0.000	1	108.9386	1.201	14	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.7933	1.105	12	108.9386	1.201	14	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	110.6340	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|N<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.0230	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.3880	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.7325	0.871	4	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.0810	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|Cl<1>,1|N<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.2100	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.7205	1.012	4	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.7321	0.988	27	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.7620	0.000	1	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.6033	0.747	3	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.3830	0.512	4	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(H){2|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.0310	0.000	2	108.5216	1.023	50	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	108.8893	1.310	3	109.1238	0.964	5	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]O[5]H)2(O[5]C[5])(H){2|O<2>,3|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.4755	0.107	2	109.1238	0.964	5	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.3250	0.000	1	110.3250	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[4,5]C[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,1|S<5>,2|H<1>,5|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.7110	0.000	1	109.7110	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,1|S<2>,3|H<1>}	C[5](C[5]O[5]S[5]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	109.2870	0.000	1	109.2870	0.000	1	108.6057	1.078	108	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	C[5](C[5]O[5]CH)(C[6]C[6]2H)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	106.0280	0.000	1	106.0280	0.000	1	107.9284	1.593	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(H){2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.9490	0.989	2	107.9490	0.977	2	107.9284	1.593	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|O<2>,3|H<1>}	C[5](C[5]O[5]HH)(C[6]O[6]2H)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	108.8580	0.233	2	108.8580	0.054	2	107.9284	1.593	5	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]CH)(O[5]C[5])(H){1|Si<4>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.8270	0.000	1	109.8270	0.000	1	108.3000	3.398	8	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[6]C[5,6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	107.5410	1.499	4	107.5410	2.247	4	108.3000	3.398	8	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	106.0440	0.000	1	108.8030	5.825	3	108.3000	3.398	8	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	2:2:4:4:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	110.1825	0.482	2	108.8030	5.825	3	108.3000	3.398	8	108.7691	1.702	219	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]2O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,7|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	105.0010	0.000	1	105.0010	0.000	1	107.6263	5.169	3	107.6263	5.169	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	108.9390	0.000	2	108.9390	0.000	2	107.6263	5.169	3	107.6263	5.169	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[4,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|O<2>,2|C<4>,2|H<1>}	105.8033	1.409	3	105.8033	1.986	3	105.5983	1.492	4	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.9830	0.000	1	104.9830	0.000	1	105.5983	1.492	4	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5,6,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(O[5]C[5])(H)2{1|H<1>,3|C<4>}	105.8550	0.000	1	105.8550	0.000	1	105.8550	0.000	1	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2	O[5](C[5]C[5,6]C[6]H)(C[5]C[5,6]HH){1|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	108.9890	2.526	2	108.9890	6.380	2	107.6613	8.478	3	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	105.0060	0.000	1	105.0060	0.000	1	107.6613	8.478	3	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]2H)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	108.4988	2.066	10	108.4988	4.267	10	108.4988	4.267	10	107.8090	5.268	21	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:O[5]-2:S-2:H-1:	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	O[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HS){1|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	105.9640	0.000	1	105.9640	0.000	1	107.1530	2.827	2	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	108.3420	0.000	1	108.3420	0.000	1	107.1530	2.827	2	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HO){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H){1|C<2>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	107.8635	0.144	2	107.8635	0.021	2	107.8635	0.021	2	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HO){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	109.3888	2.220	4	109.3888	4.930	4	109.3888	4.930	4	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	109.4570	0.000	1	107.5140	7.550	2	107.5140	7.550	2	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO)	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]HO){2|C<4>,2|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]C)(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	105.5710	0.000	1	107.5140	7.550	2	107.5140	7.550	2	108.2855	3.423	11	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N-3:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HN){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	104.3030	0.000	1	104.3030	0.000	1	107.1860	16.623	2	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	110.0690	0.000	1	110.0690	0.000	1	107.1860	16.623	2	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	107.1275	0.373	2	107.1275	0.139	2	107.1275	0.139	2	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	110.6600	0.000	1	110.6600	0.000	1	110.5385	0.030	2	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O[5]O)(O[5]C[5])(H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	110.4170	0.000	1	110.4170	0.000	1	110.5385	0.030	2	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	108.4724	0.930	9	108.4724	0.864	9	108.8930	1.464	12	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	110.1547	1.187	3	110.1547	1.409	3	108.8930	1.464	12	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	110.8210	0.000	1	110.8210	0.000	1	110.1083	0.437	6	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	110.0380	0.000	1	110.3877	0.119	3	110.1083	0.437	6	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	110.5625	0.235	2	110.3877	0.119	3	110.1083	0.437	6	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	109.3330	0.000	2	109.3330	0.000	2	110.1083	0.437	6	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]HS)	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HS){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(SC[6a]OO)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	110.3495	0.028	2	110.3495	0.001	2	109.2907	3.364	3	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|Se<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	107.1730	0.000	1	107.1730	0.000	1	109.2907	3.364	3	109.0288	2.561	28	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:2:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]2C)(O[5]C[5])(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.1970	0.288	2	112.1970	0.083	2	112.1970	0.083	2	112.1970	0.083	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C-4:N-3:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH){1|O<2>,2|C<4>,2|H<1>}	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	106.3725	8.278	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:3:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	O[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	106.3725	8.278	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	111.5370	0.840	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	113.0600	0.000	1	113.0600	0.000	1	111.6972	0.948	4	111.5370	0.840	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	110.9950	0.000	2	111.2430	0.185	3	111.6972	0.948	4	111.5370	0.840	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	111.7390	0.000	1	111.2430	0.185	3	111.6972	0.948	4	111.5370	0.840	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	109.3160	0.000	1	110.2580	1.095	3	110.2580	1.095	3	109.3968	1.965	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	B[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](B[5,5]N[5,5]O[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	110.7290	0.926	2	110.2580	1.095	3	110.2580	1.095	3	109.3968	1.965	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.7000	0.000	1	108.5357	1.594	3	108.5357	1.594	3	109.3968	1.965	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	107.1990	0.000	1	108.5357	1.594	3	108.5357	1.594	3	109.3968	1.965	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[5]H){2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	109.7080	0.000	1	108.5357	1.594	3	108.5357	1.594	3	109.3968	1.965	6	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5]2H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[5]2H)2{2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){3|C<4>,5|H<1>}	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	108.6110	3.991	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[5]C[6]H)(C[5]C[5]2H){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(O[5]C[5])(H){3|C<4>,5|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<4>}	109.7605	0.231	2	109.7605	0.053	2	109.7605	0.053	2	108.6110	3.991	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:1:	4:4:4:2:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	O[5](C[5]C[5]2H)(C[5]C[5]3)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	C[5](C[5]C[5]2Fe)2(C[5]C[5]FF)(O[5]C[5])	O[5](C[5]C[5]2H)(C[5]C[5]3){2|Fe<10>,4|F<1>,6|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2Fe)2(C[5]C[5]FF)(O[5]C[5]){2|F<1>,5|C<4>,5|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[5](C[5]C[5]2H)(O[5]C[5])(H)2	O[5](C[5]C[3]C[5]O)(C[5]C[5]HH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(H)2{1|O<2>,3|C<4>,3|H<1>}	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	109.3516	1.221	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2	O[5](C[5]C[5,5]2O)(C[5]C[5,5]HH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)2{1|H<1>,2|C<4>,2|O<2>}	109.7745	0.462	2	109.7745	0.213	2	109.7745	0.213	2	109.3516	1.221	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	C[5](C[5]C[5]CO)(O[5]C[5])(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	109.3516	1.221	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]2O)(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.8865	0.422	2	108.8865	0.178	2	109.1833	0.353	3	109.3516	1.221	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]2O)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	O[5](C[5]C[5]2O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	109.7770	0.000	1	109.7770	0.000	1	109.1833	0.353	3	109.3516	1.221	7	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:3:1:	C[5]-4:C[5]-4:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-4:O[5]-2:C-3:H-1:	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H)	O[5](C[5]C[5,6]C[5]O)(C[5]C[5,6]CH){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(COO)(H){1|C<3>,1|O<2>,5|C<4>}	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.6650	0.661	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2O)(C[5]C[5]CH)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]2O)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	110.6650	0.661	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:2:	4:4:2:1:	C[5]-4:C[5]-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]2O){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){3|C<4>,3|H<1>,3|O<2>}	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:3:	3:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:C-3:	C[6a]-3:O[5]-2:O[5]-2:H-1:	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	108.4230	0.327	2	108.4230	0.107	2	108.4230	0.107	2	108.4230	0.107	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.5380	0.000	1	109.5380	0.000	1	109.6303	0.141	4	109.6303	0.141	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	2:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C[5](O[5]C[5])2(CH3)2	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	109.6610	0.454	3	109.6610	0.206	3	109.6303	0.141	4	109.6303	0.141	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:1:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:2:4:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:O-2:O[5]-2:C-4:	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	109.7170	0.000	1	109.6505	0.681	16	109.8954	1.130	18	109.9639	1.156	19	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	109.6461	0.854	15	109.6505	0.681	16	109.8954	1.130	18	109.9639	1.156	19	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	O[5](C[5]C[5]2C)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	111.8550	0.590	2	111.8550	0.348	2	109.8954	1.130	18	109.9639	1.156	19	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:1:	C[5]-4:C[5]-4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH)	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH){2|C<4>,5|H<1>}	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	109.9639	1.156	19	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5,5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	110.6620	1.897	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	111.2025	0.269	2	111.2025	0.073	2	111.3393	0.092	3	110.6620	1.897	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:2:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	111.6130	0.000	1	111.6130	0.000	1	111.3393	0.092	3	110.6620	1.897	4	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5]2C)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	O[5](C[5]C[5]2C)(C[5]C[5]CC){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:3:2:2:	C[5]-4:C[5]-4:	C[5]-4:C-4:O[5]-2:C-4:	C[3]-4:C[5]-3:O[5]-2:O-2:	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	107.9957	0.554	3	107.9957	0.307	3	107.9957	0.307	3	107.9957	0.307	3	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	O[5](C[5]C[5]2C)(C[5]C[5]2H){1|Fe<10>,4|C<4>,4|F<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3){2|F<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	108.7120	0.000	1	108.7120	0.000	1	109.4314	1.993	5	109.4314	1.993	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[5]2C)(C[5]C[5]2H){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	110.5530	0.929	2	109.6112	2.442	4	109.4314	1.993	5	109.4314	1.993	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:2:4:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H)	O[5](C[5]C[5]2C)(C[5]C[5]2H){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(H){4|C<4>,4|H<1>}	108.6695	1.708	2	109.6112	2.442	4	109.4314	1.993	5	109.4314	1.993	5	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]3)	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]3){2|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]2O[5])(C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5]){1|O<2>,6|C<4>,8|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	110.4044	0.692	10	110.4044	0.479	10	111.0871	1.189	20	111.0871	1.189	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	4:4:4:2:	4:2:1:1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5]HH)(C[5]C[5]3)	C[5](C[5]C[5]2O[5])2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5]HH)(C[5]C[5]3){2|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5]2O[5])2(C[5]C[5]HH)(O[5]C[5]){2|O<2>,7|C<4>,9|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{2|C<4>,2|H<1>}	111.7697	0.998	10	111.7697	0.996	10	111.0871	1.189	20	111.0871	1.189	20	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	6:2:1:1:	6:2:1:1:	C[5]-4:C[5]-4:	C[5x3,4x5,11x6]-6:O[5]-2:H-1:H-1:	C[3x3,4x5,12x6]-6:O[5]-2:H-1:H-1:	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH)	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2	O[5](C[5]C[3x3,4x5,12x6]HH)(C[5]C[5x3,4x5,11x6]HH){1|Ir<9>,5|B<6>}	C[5](C[5x3,4x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6])(O[5]C[5])(H)2{1|Ir<9>,4|B<6>,6|H<1>}	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,4x5,11x6]Ir)(O[5]C[5])(H)2{5|B<6>,5|H<1>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	6:3:2:1:	6:3:2:1:	C[5]-4:C[5]-4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2{4|C<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	5:SP3_SP3_SP3	O[5]	C[5]	C[5]	4:4:	6:4:2:1:	4:2:1:1:	C[5]-4:C[5]-4:	C[5x3,5x5,20x6]-6:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(H)2	O[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5]C[5]HH){1|C<6>,4|B<6>,4|H<1>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|B<6>,8|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H)2{1|C<6>,3|H<1>}	110.2525	0.916	2	110.2525	0.839	2	110.2525	0.839	2	110.2525	0.839	2	107.9908	8.659	4500	107.4547	12.181	8917
976	474	474	6:SP3_SP3_SP3	O[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6,6]-4:C[5,6,6]-4:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H){1|C<4>,1|O<2>,4|H<1>}	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	97.7464	0.000	1	97.7464	0.000	1	97.7464	0.000	1	97.7464	0.000	1	97.7464	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[3x5,6]	C[5,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3x5,6]-4:C[5,6,6]-4:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)	C[3x5,6](C[3x5,6]C[5,6]2C[5])(C[5,6]C[5,6,6]CC)(O[5,6]C[5,6,6])(C[5]C[5]HH)	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H)	O[5,6](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H){5|H<1>,7|C<4>}	C[3x5,6](C[3x5,6]C[5,6]2C[5])(C[5,6]C[5,6,6]CC)(O[5,6]C[5,6,6])(C[5]C[5]HH){2|C<4>,9|H<1>}	C[5,6,6](C[5,6]C[3x5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[3x5,6])(H){1|H<1>,4|C<4>}	103.6490	0.000	1	103.6490	0.000	1	103.6490	0.000	1	103.6490	0.000	1	103.6490	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[4x5,3x6]	C[5,6]	4:4:	4:4:4:2:	4:2:4:4:	C[4x5,3x6]-4:C[5,6]-4:	C[4x5,6,6]-4:C[5,5,6]-4:C[3x5,3x6]-4:O[5,6]-2:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C)	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6])	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C){1|C<3>,5|C<4>,6|H<1>}	C[4x5,3x6](C[4x5,6,6]C[3x5,3x6]C[5,5]C[5])(C[5,5,6]C[3x5,6,6]C[6]H)(C[3x5,3x6]C[3x5,6,6]2H)(O[5,6]C[5,6]){1|O<1>,4|C<4>,8|H<1>}	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	101.6770	0.000	1	101.6770	0.000	1	101.6770	0.000	1	101.6770	0.000	1	101.6770	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[4x5,6,6]	C[5,6]	4:4:	4:4:4:2:	4:2:2:1:	C[4x5,6,6]-4:C[5,6]-4:	C[3x5,3x6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[5,6]-2:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO)	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6])	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	O[5,6](C[4x5,6,6]C[3x5,3x6]2C[5,3x6])(C[5,6]C[5,5,3x6]HO){1|O<2>,3|H<1>,5|C<4>}	C[4x5,6,6](C[3x5,3x6]C[5,5,3x6]C[5,4x6]H)2(C[5,3x6]C[3x6]C[6,6]O[5,6])(O[5,6]C[5,6]){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,3x6]	C[5,6,6]	4:4:	4:4:2:3:	4:2:4:1:	C[5,5,3x6]-4:C[5,6,6]-4:	C[5,5,3x6]-4:C[6,6]-4:O[5,6]-2:C[5,6]-3:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H)	O[5,6](C[5,5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5,6]C[5,6,6])(C[5,6]C[5,6]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]C[6])(O[5,6]C[5,5,3x6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,3x6]	C[5,6]	4:4:	4:4:2:2:	4:2:4:4:	C[5,5,3x6]-4:C[5,6]-4:	C[5,5,3x6]-4:C[3x6]-4:O[5,5]-2:O[5,6]-2:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC)	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC){1|O<2>,2|H<1>,4|C<4>}	C[5,5,3x6](C[5,5,3x6]C[5,4x6]C[5,6]O[5])(C[3x6]C[6,6]2H)(O[5,5]C[5,5,6])(O[5,6]C[5,6]){2|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2{2|C<4>,2|H<1>}	103.9070	0.000	1	103.9070	0.000	1	103.9070	0.000	1	103.9070	0.000	1	103.9070	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:O[5]-2:	C[3x5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]H)	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5])	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5,5,6]C[3x5,6]C[5,6]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]H)(O[5,6]C[5,5,6])(O[5]C[5]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]N[5,5,6]C)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(H){1|O<2>,2|H<1>,3|C<4>}	102.0610	0.000	1	102.0610	0.000	1	102.0610	0.000	1	102.0610	0.000	1	102.2375	0.062	2	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,5,6]	4:4:	4:4:3:2:	4:2:2:4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:O[5,6]-2:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6a])(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6a])(C[5,5,6]C[5,5,6]O[5,6]C){1|H<1>,2|C<4>,6|C<3>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.2375	0.062	2	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6,6]	4:4:	4:2:2:4:	4:2:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6]C[6]2){3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	105.5420	4.038	2	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6,6]	4:4:	4:4:2:2:	4:4:2:4:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5,6]-2:O[5,6]-2:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,6,6]C[5,6,6]C[5,6]C)	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3)	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,6,6]C[5,6,6]C[5,6]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6]){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	105.5420	4.038	2	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	C[5,6]	4:4:	4:2:2:4:	4:2:1:1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH){1|S<4>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]S)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(H)2{2|C<4>,2|H<1>}	104.8130	0.000	1	104.8130	0.000	1	104.8130	0.000	1	104.8130	0.000	1	104.8130	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6,6]	4:4:	4:2:4:1:	4:2:2:3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6,6]-4:O[5,5]-2:O[5,6]-2:C[6]-3:	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H)	O[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,5,6]C[3x5,6]C[5]H){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6,6](C[5,6,6]C[5,5,6]C[6]C)(O[5,5]C[3x5,6])(O[5,6]C[5,5,6])(C[6]C[6]H){3|H<1>,6|C<4>}	104.4915	0.013	2	104.4915	0.000	2	104.4915	0.000	2	104.4915	0.000	2	104.4915	0.000	2	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	3:2:4:4:	4:2:4:4:	C[5,5,6]-4:C[5,5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,5,6]C[5,6]C[5]2)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH)	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,5,6]C[5,6]C[5]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH){2|C<4>,2|H<1>,3|C<3>}	103.3930	0.000	1	103.3930	0.000	1	103.3930	0.000	1	103.3930	0.000	1	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:2:2:	4:2:4:1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:O[5]-2:	C[5,6]-4:O[5,6]-2:C[5,5]-4:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2)	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6])	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]O[5]2){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]C)(O[5,6]C[5,5,6])(O[5]C[5,5])(O[5]C[5,6]){1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,5,6])(C[5,5]O[5]2C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	101.3640	0.000	1	101.3640	0.000	1	101.3640	0.000	1	101.3640	0.000	1	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:3:2:	4:2:4:4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,6]-4:O[5,6]-2:C[5,6]-3:O[5]-2:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5])	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5])	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,6]2O[5]){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6]C[5]C[6]O)(O[5,6]C[5,5,6])(C[5,6]C[5,6]2)(O[5]C[5,5]){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5]O[5]O)(O[5,6]C[5,5,6])(C[5]C[5]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	101.2430	0.000	1	101.2430	0.000	1	101.2430	0.000	1	101.2430	0.000	1	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:2:4:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,1|N<4>,6|H<1>}	C[5,5,6](C[3x5,6]N[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HN)(C[5,6]N[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<4>,3|H<1>}	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,8|H<1>}	104.6320	0.000	1	104.6320	0.000	1	103.9370	0.966	2	103.9370	0.966	2	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:4:3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,5,6])(C[5]O[5]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	103.2420	0.000	1	103.2420	0.000	1	103.9370	0.966	2	103.9370	0.966	2	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:O[5,6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H)	O[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H){1|C<4>,1|N<3>,3|H<1>,4|O<2>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]O)(C[5]N[6a]O[5]H)(O[5,6]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]HO)(O[5,6]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	103.7584	4.229	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:2:2:4:	4:2:3:3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2){1|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:2:4:4:	4:2:4:3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2)	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,5]C[6]O)(O[5,6]C[5,5,6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	102.3660	0.000	1	102.3660	0.000	1	102.3660	0.000	1	102.3660	0.000	1	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:3:2:1:	4:2:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	O[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	105.2880	0.000	1	105.2880	0.000	1	105.2880	0.000	1	105.2880	0.000	1	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:1:	4:2:3:1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H){1|S<4>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:2:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C){1|C<3>,6|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	103.2623	0.315	4	103.2623	0.099	4	103.2623	0.099	4	103.2623	0.099	4	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:3:	4:2:2:3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-3:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){1|C<3>,2|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CHH){1|C<3>,1|O<2>,3|C<4>}	103.5920	0.000	1	103.5920	0.000	1	103.5920	0.000	1	103.5920	0.000	1	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:3:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	103.2240	0.000	1	103.7514	0.111	5	103.7514	0.111	5	103.7514	0.111	5	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6,6]	4:4:	4:4:2:3:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	103.8833	0.181	4	103.7514	0.111	5	103.7514	0.111	5	103.7514	0.111	5	103.9443	1.304	14	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	2:3:4:3:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	102.1880	0.000	1	102.1880	0.000	1	102.1880	0.000	1	102.1880	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	3:4:3:2:	4:2:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H)	O[5,6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	104.5623	0.198	3	104.5623	0.039	3	104.5623	0.039	3	104.5623	0.039	3	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:2:3:	5:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC){1|H<1>,3|C<3>,3|O<2>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	109.9615	0.142	2	109.9615	0.020	2	109.9615	0.020	2	109.9615	0.020	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:2:4:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	104.4060	0.000	1	104.4060	0.000	1	104.4060	0.000	1	104.7725	0.269	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:2:4:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH){1|Ru<8>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(C[5]C[5]2Ru){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	105.1390	0.000	1	105.1390	0.000	1	105.1390	0.000	1	104.7725	0.269	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:3:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6]-4:C[5]-3:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:2:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	O[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5]O[6]H){1|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	101.5870	0.000	1	101.5870	0.000	1	101.5870	0.000	1	101.5870	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O){1|C<3>,6|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	102.8090	0.000	1	102.8090	0.000	1	102.8090	0.000	1	102.7275	0.013	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	102.6460	0.000	1	102.6460	0.000	1	102.6460	0.000	1	102.7275	0.013	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:3:	2:4:3:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:3:3:2:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	103.2160	0.000	1	103.2160	0.000	1	103.2160	0.000	1	103.2160	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	102.8690	0.000	1	102.8690	0.000	1	102.8690	0.000	1	102.8690	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:4:3:2:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O)	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	104.0515	0.114	2	104.0515	0.013	2	104.0515	0.013	2	104.0515	0.013	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	2:4:3:3:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|N<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,8|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	104.1460	0.000	1	104.1460	0.000	1	104.1460	0.000	1	104.1460	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:3:3:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-3:C-3:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO)	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]O)(COO){1|O<2>,4|H<1>,5|C<4>}	104.5870	0.000	1	104.5870	0.000	1	104.5870	0.000	1	104.5870	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:3:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	3:2:2:3:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N)	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]N[6,6a]O[5]H)(C[5,5]C[5]O[5]H)(O[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	102.6010	0.000	1	102.6010	0.000	1	102.6010	0.000	1	102.6010	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]O)(C[5,6]O[5,6]N[6a]H)(O[5,6]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5,6]C[5,5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	105.2480	0.000	1	105.2480	0.000	1	105.7208	0.103	5	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]N[5a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	105.6860	0.127	2	105.6860	0.016	2	105.7208	0.103	5	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HN)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|N<2>,2|H<1>}	106.1030	0.000	1	106.1030	0.000	1	105.7208	0.103	5	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|C<4>,1|O<2>,2|H<1>}	105.8810	0.000	1	105.8810	0.000	1	105.7208	0.103	5	105.8729	0.224	7	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:4:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:1:	4:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[4,5]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	106.2520	0.290	2	106.2520	0.084	2	106.2520	0.084	2	106.2520	0.084	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:4:	2:4:3:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C[5]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]H){1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5]C)(C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH){10|H<1>,1|O<2>,2|C<3>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	104.1580	0.091	2	104.1580	0.008	2	104.1580	0.008	2	104.1580	0.008	2	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	C[5,6]	4:4:	4:4:2:4:	4:2:1:1:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:H-1:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(H)2{1|H<1>,1|O<2>,2|C<4>}	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	104.7678	4.016	35	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[3x5,6]	4:4:	4:3:2:3:	4:2:2:4:	C[5,6,6]-4:C[3x5,6]-4:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C[5]-4:	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH)	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	3:4:2:3:	4:4:2:1:	C[5,6,6]-4:C[5,5,6]-4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	103.4630	0.000	1	103.4630	0.000	1	103.4630	0.000	1	103.4630	0.000	1	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:2:4:	4:2:2:1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C){2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(H){1|Se<2>,2|C<4>,4|H<1>}	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:1:	4:2:2:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	105.7040	0.190	2	105.7982	0.103	4	105.7982	0.103	4	105.7982	0.103	4	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:1:	4:2:2:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	105.8925	0.487	2	105.7982	0.103	4	105.7982	0.103	4	105.7982	0.103	4	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	3:2:4:4:	C[5,5,6]-4:C[5,6,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	104.1850	0.000	1	104.1850	0.000	1	104.1850	0.000	1	103.6490	0.575	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	3:2:4:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[5,6]-3:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO)	O[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5,6]C[5,6]C[5]2){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(O[5,6]C[5,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]C[6])(O[5,6]C[5,6,6])(C[5]C[5]CC)(C[5]C[5]HO){1|O<2>,3|C<4>,5|H<1>}	103.1130	0.000	1	103.1130	0.000	1	103.1130	0.000	1	103.6490	0.575	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	4:2:4:3:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[3x5]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.7700	0.000	2	106.7700	0.000	2	106.7700	0.000	2	106.7700	0.000	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5]-4:O[5,6]-2:C[6,6]-4:C[6]-4:	C[3x5]-4:O[5,6]-2:C[6]-4:C[5]-4:	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6])	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO)	O[5,6](C[5,6,6]C[5,5]C[6,6]C[6])(C[5,5,6]C[3x5]C[5]C[6]){1|Br<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[5,6,6](C[5,5]C[3x5]C[5]H)(O[5,6]C[5,5,6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]2H)(O[5,6]C[5,6,6])(C[6]C[6]BrH)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.7820	0.000	2	106.7820	0.000	2	106.7820	0.000	2	106.7820	0.000	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:2:2:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C){2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[6,6]C[6,6]O[6]H)(O[5,6]C[5,5,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	105.3150	0.123	2	105.3150	0.015	2	105.3150	0.015	2	105.3150	0.015	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){1|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	104.0900	0.004	2	104.0900	0.000	2	103.9993	0.025	3	103.9993	0.025	3	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:1:	4:4:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	103.8180	0.000	1	103.8180	0.000	1	103.9993	0.025	3	103.9993	0.025	3	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:2:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	102.9865	0.013	2	102.9865	0.000	2	102.9865	0.000	2	102.9865	0.000	2	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H)	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]O)(C[5,5,6]C[5,5]C[5,6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]CH)(O[5,6]C[5,6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:3:	4:2:2:4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C){2|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,5,6]	4:4:	4:4:2:4:	4:2:2:4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.1000	0.000	1	105.1000	0.000	1	105.1000	0.000	1	105.1000	0.000	1	105.1156	1.956	22	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	2:3:4:4:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	104.2710	0.000	1	104.2710	0.000	1	104.2710	0.000	1	104.2710	0.000	1	104.2345	0.308	6	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	2:4:4:2:	4:2:4:4:	C[5,6,6]-4:C[5,6,6]-4:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5,6]-2:C[6]-4:C[6]-4:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2){2|O<2>,5|C<4>,6|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[6]O[5]O)(O[5,6]C[5,6,6])(C[6]C[6]HH)2{3|C<4>,6|H<1>}	103.7210	0.120	2	103.7210	0.014	2	103.7210	0.014	2	103.7210	0.014	2	104.2345	0.308	6	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	2:4:4:4:	4:2:3:4:	C[5,6,6]-4:C[5,6,6]-4:	O[5,6]-2:C[6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<4>}	105.2340	0.000	1	105.2340	0.000	1	105.2340	0.000	1	105.2340	0.000	1	104.2345	0.308	6	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6,6]	4:4:	4:2:3:4:	2:3:4:4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6]-4:O[5,6]-2:C[6,6]-3:C[5]-4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	O[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[6,6]C[5]C[6]){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH){1|C<3>,5|C<4>,6|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	104.2300	0.000	2	104.2300	0.000	2	104.2300	0.000	2	104.2300	0.000	2	104.2345	0.308	6	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	2:3:4:4:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[6,6]-3:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](O[5,6]C[5,6])(C[6,6]C[6]2)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|C<3>,7|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	103.6170	0.000	1	103.6170	0.000	1	103.6170	0.000	1	103.6170	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:2:4:2:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	102.0060	0.000	1	101.5487	0.166	3	101.5487	0.166	3	101.5487	0.166	3	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:2:4:2:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-3:O[5,6]-2:C[6]-4:O[5]-2:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,4|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	101.3200	0.133	2	101.5487	0.166	3	101.5487	0.166	3	101.5487	0.166	3	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:2:4:3:	2:3:3:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:3:2:4:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	C[5a,6]-3:C[5,6]-3:O[5,6]-2:C[6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H)	O[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5,6]C[5]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[5a,6]CH)(C[5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	3:4:2:3:	2:4:3:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	104.0340	0.000	1	104.0340	0.000	1	104.0340	0.000	1	104.0340	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:2:4:	2:4:2:4:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	102.4267	0.218	3	102.7270	0.393	4	102.7270	0.393	4	102.7270	0.393	4	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:2:4:	2:4:2:4:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	103.6280	0.000	1	102.7270	0.393	4	102.7270	0.393	4	102.7270	0.393	4	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:2:	2:4:2:4:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C)	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	103.1450	0.000	1	103.1450	0.000	1	103.1450	0.000	1	103.1450	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	2:4:4:2:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-3:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O){1|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]C){2|O<2>,4|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:3:	4:2:3:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6,6])(C[5]C[5]H)(H){1|C<3>,2|H<1>,5|C<4>}	103.4820	0.000	1	103.4820	0.000	1	103.4820	0.000	1	103.4820	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:4:	2:4:4:1:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	C[5,6,6](C[6,6]N[5,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>}	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:2:4:4:	2:4:4:2:	C[5,6,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O)	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O){5|H<1>,7|C<4>}	C[5,6,6](C[6,6]C[6]2C)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH){2|O<2>,4|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	105.0355	0.022	2	105.0355	0.000	2	105.0355	0.000	2	105.0355	0.000	2	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:1:	2:4:2:4:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:4:	3:2:4:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:4:	4:2:4:1:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	103.1050	0.000	1	103.1050	0.000	1	103.1050	0.000	1	103.1050	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:4:	4:2:4:2:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O)	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5,6]C[5]O){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]HH){1|C<3>,2|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	105.1080	0.000	2	105.1080	0.000	2	105.1080	0.000	2	105.1080	0.000	2	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	C[5,6]	4:4:	4:4:4:2:	2:4:4:4:	C[5,6,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[5,6]-2:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6])	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]CH)(O[5,6]C[5,6]){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	105.2360	0.000	1	105.2360	0.000	1	105.2360	0.000	1	105.2360	0.000	1	103.4819	1.514	23	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	2:4:2:4:	4:4:2:1:	C[5,5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5]N[5]O[5]C)(C[5,6]C[5]C[6]O)(O[5,6]C[5,6])(H){1|H<1>,2|C<4>,2|O<1>}	102.3155	0.128	2	102.3155	0.016	2	102.3155	0.016	2	102.3155	0.016	2	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	3:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	107.4830	0.000	1	107.4830	0.000	1	107.7055	0.099	2	107.7055	0.099	2	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	3:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	107.9280	0.000	1	107.9280	0.000	1	107.7055	0.099	2	107.7055	0.099	2	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	105.7820	0.000	1	105.7820	0.000	1	106.2540	0.446	2	106.2540	0.446	2	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:3:1:	4:4:2:4:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	106.7260	0.000	1	106.7260	0.000	1	106.2540	0.446	2	106.2540	0.446	2	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,5,6]	4:4:	4:2:4:1:	4:2:4:4:	C[5,5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H)	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2	O[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6,6]C[5]H){2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(O[5,6]C[5,5,6])(C[5]C[5]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5,6,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)2{2|C<4>,2|O<2>,6|H<1>}	102.7940	0.000	1	102.7940	0.000	1	102.7940	0.000	1	102.7940	0.000	1	105.0491	6.268	7	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6,6]	4:4:	2:4:2:4:	4:2:2:4:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	103.2240	0.000	1	103.2240	0.000	1	103.2240	0.000	1	103.2240	0.000	1	103.8430	1.932	4	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6,6]	4:4:	2:4:3:2:	4:4:2:2:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5a]-3:O[5]-2:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5a]C[6]O[5])	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6])	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	O[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5a]C[6]O[5]){2|C<3>,3|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]HH)(C[5a]C[5a]2)(O[5]C[5,6]){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	102.1750	0.000	1	102.1750	0.000	1	102.1750	0.000	1	102.1750	0.000	1	103.8430	1.932	4	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6,6]	4:4:	2:4:4:4:	4:4:2:4:	C[5,6,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|O<2>,5|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]H)2(O[5,6]C[5,6])(C[6]C[6]CH){3|O<2>,5|C<4>,6|H<1>}	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	103.8430	1.932	4	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6,6]	4:4:	4:2:4:2:	4:2:4:4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6,6]C[5]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	O[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6,6]C[5]O){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	105.0730	0.000	1	105.0730	0.000	1	105.0730	0.000	1	105.0730	0.000	1	103.8430	1.932	4	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:2:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>}	101.5992	0.397	13	101.5992	0.158	13	101.5992	0.158	13	101.5992	0.158	13	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:2:	2:3:4:2:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	O[5,6](C[5,6]C[6a]C[6]O[5])2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	O[5,6](C[5,6]C[6a]C[6]O[5])2{1|S<2>,4|C<3>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:2:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	103.2600	0.250	2	103.2600	0.063	2	103.2600	0.063	2	103.2600	0.063	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:2:	4:2:3:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5]){1|Se<1>,1|C<4>,4|H<1>,5|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:3:	2:3:4:3:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:3:4:4:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	103.8800	0.000	1	103.8800	0.000	1	103.8800	0.000	1	103.8800	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	101.9440	0.000	1	101.9440	0.000	1	101.6700	0.150	2	101.6700	0.150	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	101.3960	0.000	1	101.3960	0.000	1	101.6700	0.150	2	101.6700	0.150	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	O[5,6](C[5,6]C[6]O[5]C)2{5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	103.7475	0.359	2	103.7475	0.129	2	103.6243	0.139	6	103.6243	0.139	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	103.7043	0.373	3	103.7043	0.139	3	103.6243	0.139	6	103.6243	0.139	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	103.1380	0.000	1	103.1380	0.000	1	103.6243	0.139	6	103.6243	0.139	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:2:4:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C){1|N<3>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	101.5370	0.000	1	101.5370	0.000	1	101.5370	0.000	1	101.5370	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	101.1950	0.065	2	101.1950	0.004	2	100.9194	0.078	5	100.9194	0.078	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	100.7357	0.164	3	100.7357	0.027	3	100.9194	0.078	5	100.9194	0.078	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:3:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	101.7240	0.000	1	101.7240	0.000	1	101.7240	0.000	1	101.7240	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	102.7720	0.000	1	102.7720	0.000	1	102.7395	0.046	4	102.7395	0.046	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	103.0230	0.000	1	103.0230	0.000	1	102.7395	0.046	4	102.7395	0.046	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	102.6440	0.000	1	102.5815	0.008	2	102.7395	0.046	4	102.7395	0.046	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	102.5190	0.000	1	102.5815	0.008	2	102.7395	0.046	4	102.7395	0.046	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:3:3:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	101.8221	0.211	13	101.8221	0.045	13	101.8221	0.045	13	101.8221	0.045	13	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	102.2360	0.058	2	102.1303	0.007	7	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|F<1>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	102.0880	0.044	5	102.1303	0.007	7	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	101.6670	0.147	2	101.6670	0.022	2	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	100.6610	0.000	1	100.6610	0.000	1	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HI)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	101.8647	0.353	3	101.8647	0.124	3	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	102.0130	0.373	2	101.6768	0.137	5	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	101.4527	0.128	3	101.6768	0.137	5	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	101.8632	0.480	4	101.8896	0.176	5	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	101.9950	0.000	1	101.8896	0.176	5	101.8406	0.171	23	101.8406	0.171	23	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){2|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	102.7210	0.000	1	102.7210	0.000	1	102.7210	0.000	1	102.7210	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	102.0910	0.000	1	102.0910	0.000	1	102.0910	0.000	1	102.0910	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:2:	2:4:3:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:4:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	100.5520	0.000	1	100.5520	0.000	1	100.5520	0.000	1	100.5520	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:4:	2:4:2:2:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	O[5,6]-2:C[5]-4:O[6]-2:C-2:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC){2|C<4>,4|H<1>}	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	2:4:4:4:	2:4:2:4:	C[5,6]-4:C[5,6]-4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,1|O<2>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	104.0020	0.000	1	104.0020	0.000	1	104.0020	0.000	1	104.0020	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	2:2:3:4:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C){1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	101.7620	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	100.8640	0.000	1	100.8640	0.000	1	100.8640	0.000	1	101.3004	0.161	9	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	101.3577	0.221	3	101.3577	0.049	3	101.5745	0.221	4	101.3004	0.161	9	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5a,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	102.2250	0.000	1	102.2250	0.000	1	101.5745	0.221	4	101.3004	0.161	9	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	101.1355	0.087	4	101.1355	0.008	4	101.1355	0.008	4	101.3004	0.161	9	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	101.1256	0.145	10	101.1256	0.021	10	101.1256	0.021	10	101.1256	0.021	10	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:2:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:2:4:	4:2:2:4:	C[5,6]-4:C[5,6]-4:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C)	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	102.8930	0.000	1	102.8930	0.000	1	102.8930	0.000	1	102.8930	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:1:	4:2:2:4:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:2:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){3|C<3>}	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:4:	2:3:3:1:	C[5,6]-4:C[5,6]-4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	100.7620	0.000	1	100.7620	0.000	1	100.7620	0.000	1	100.7620	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:3:4:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H){3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,4|C<3>}	103.0220	0.000	1	103.0220	0.000	1	103.0220	0.000	1	103.0220	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	2:2:4:3:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	103.9745	0.279	2	103.9745	0.078	2	103.9745	0.078	2	103.9745	0.078	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	2:3:4:1:	C[5,6]-4:C[5,6]-4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	O[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	102.1490	0.000	1	102.1490	0.000	1	102.1490	0.000	1	102.1490	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	2:4:3:2:	C[5,6]-4:C[5,6]-4:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]N[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	3:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	102.1035	0.128	2	102.1035	0.016	2	102.1035	0.016	2	102.1035	0.016	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)2{2|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6]C[5a,6]HH)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	102.4110	0.000	1	102.4110	0.000	1	102.4110	0.000	1	102.4110	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6]2)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	102.0450	0.000	1	102.0450	0.000	1	102.0450	0.000	1	102.5502	0.186	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]HH)(O[5,6]C[5,6])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	102.1900	0.000	1	102.1900	0.000	1	102.1900	0.000	1	102.5502	0.186	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O[5,6](C[5,6]N[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[6]C[6,6a]CH)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,3|H<1>}	102.8387	0.234	3	102.8387	0.055	3	102.8387	0.055	3	102.5502	0.186	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:3:2:4:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	105.0220	0.000	1	105.0220	0.000	1	105.0220	0.000	1	105.0220	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:2:4:1:	4:4:2:3:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO){5|C<3>,6|H<1>}	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:1:	2:3:2:4:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:1:	3:3:2:1:	C[5,6]-4:C[5,6]-4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2{5|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H)	O[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H){1|N<3>,2|H<1>,3|C<3>}	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:3:	3:4:2:3:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:C[6a]-3:	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6]){1|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	106.6525	0.084	2	106.6525	0.007	2	106.6525	0.007	2	106.6525	0.007	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:3:	4:3:2:3:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	107.1840	0.000	1	107.1840	0.000	1	107.5185	0.224	2	107.5185	0.224	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:3:2:3:	4:3:2:3:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	107.8530	0.000	1	107.8530	0.000	1	107.5185	0.224	2	107.5185	0.224	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:4:2:1:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[5,6a]C[6]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)2{3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:4:2:1:	4:3:2:4:	C[5,6]-4:C[5,6]-4:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	104.7840	0.000	1	104.7840	0.000	1	104.7840	0.000	1	104.7840	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H)	O[5,6](C[5,6]N[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,2|O<2>,4|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[5a,6]HH)(O[5,6]C[5,6])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	103.5690	0.265	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	3:4:2:1:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	O[5,6](C[5,6]N[6,6a]C[5,5]H)(C[5,6]C[5,5]C[6]H){2|C<3>,3|H<1>,3|O<2>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	103.5690	0.265	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	2:3:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	101.4100	0.000	1	101.4100	0.000	1	101.4100	0.000	1	101.4100	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	3:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	102.1910	0.000	1	102.1910	0.000	1	102.1910	0.000	1	102.1910	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	101.6000	0.000	1	101.6000	0.000	1	101.6755	0.011	2	101.8620	0.110	3	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	101.7510	0.000	1	101.7510	0.000	1	101.6755	0.011	2	101.8620	0.110	3	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:2:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O[5,6](C[5,6]C[6,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|H<1>}	102.2350	0.000	1	102.2350	0.000	1	102.2350	0.000	1	101.8620	0.110	3	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|Br<1>,1|C<3>,1|N<3>,4|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]Br)(H){1|C<4>,1|O<1>,2|H<1>}	103.2350	0.000	1	103.2350	0.000	1	103.4990	0.139	2	103.4990	0.139	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	103.7630	0.000	1	103.7630	0.000	1	103.4990	0.139	2	103.4990	0.139	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	2:4:3:4:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	103.6010	0.000	1	103.6010	0.000	1	103.6010	0.000	1	103.6010	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	101.7430	0.000	1	101.4020	0.233	2	101.4133	0.117	3	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	101.0610	0.000	1	101.4020	0.233	2	101.4133	0.117	3	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	101.4360	0.000	1	101.4360	0.000	1	101.4133	0.117	3	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-3:H-1:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	101.9150	0.000	1	101.9150	0.000	1	101.9150	0.000	1	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:H-1:	O[5,6](C[5,6]C[6,6]C[5]H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H)	O[5,6](C[5,6]C[6,6]C[5]H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	102.2780	0.000	1	102.2780	0.000	1	102.2780	0.000	1	101.8027	0.253	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:1:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	O[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	103.6940	0.000	1	103.6940	0.000	1	103.6940	0.000	1	103.6940	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:2:	2:4:3:3:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	O[5,6]-2:C[5]-4:C[6]-3:N-3:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]N){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(NCH){1|C<2>,2|C<3>,2|H<1>}	102.5920	0.000	1	102.5920	0.000	1	102.5920	0.000	1	102.5920	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:3:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>}	103.2340	0.000	1	103.2340	0.000	1	103.2340	0.000	1	103.2340	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]H)(H){1|O<1>,3|C<4>}	103.3810	0.000	1	103.3810	0.000	1	103.3810	0.000	1	103.3810	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:3:2:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	104.0495	0.168	2	104.0495	0.028	2	104.0495	0.028	2	104.0495	0.028	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:3:4:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	O[5,6](C[5,6]C[6,6]C[5]C)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	O[5,6](C[5,6]C[6,6]C[5]C)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	103.9930	0.000	1	103.9930	0.000	1	103.9930	0.000	1	103.9930	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:3:4:	4:2:4:2:	C[5,6]-4:C[5,6]-4:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	101.9030	0.000	1	101.9030	0.000	1	101.9030	0.000	1	101.6900	0.091	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:3:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	101.4770	0.000	1	101.4770	0.000	1	101.4770	0.000	1	101.6900	0.091	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	101.5290	0.306	3	101.5290	0.094	3	101.5632	0.067	4	101.5632	0.067	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	101.6660	0.000	1	101.6660	0.000	1	101.5632	0.067	4	101.5632	0.067	4	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:3:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	O[5,6](C[5,6]C[5]C[6]H)2{3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	101.8760	0.000	1	101.8760	0.000	1	101.8760	0.000	1	101.8760	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	O[5,6](C[5,6]C[5]C[6]H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	103.0585	0.155	2	103.0585	0.024	2	103.0585	0.024	2	103.1677	0.048	3	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	2:4:4:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	O[5,6](C[5,6]C[5]C[6]H)2	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5]C[6]H)2{1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	103.3860	0.000	1	103.3860	0.000	1	103.3860	0.000	1	103.1677	0.048	3	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]HN)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	100.9130	0.000	1	100.9130	0.000	1	101.8163	0.345	9	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	101.9292	0.513	8	101.9292	0.263	8	101.8163	0.345	9	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	102.1195	0.606	2	102.1195	0.367	2	102.1195	0.367	2	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	101.7020	0.000	1	101.7020	0.000	1	101.7020	0.000	1	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|N<3>,4|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	101.2465	0.793	4	101.2465	0.629	4	101.4662	0.415	11	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	101.5740	0.710	2	101.5740	0.504	2	101.4662	0.415	11	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[3,6]O[5]H)(C[5,6]C[5]C[6]H){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	101.5988	0.603	5	101.5988	0.363	5	101.4662	0.415	11	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:1:	C[5,6]-4:C[5,6]-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:O[5]-2:H-1:	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H)	O[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	101.3670	0.000	1	101.3670	0.000	1	101.3670	0.000	1	101.6576	0.366	24	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:2:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	102.7890	0.000	1	102.7890	0.000	1	102.7890	0.000	1	102.7890	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	O[5,6](C[5,6]C[5,5]C[6]H)2	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	O[5,6](C[5,6]C[5,5]C[6]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	104.0000	0.000	1	104.0000	0.000	1	104.0000	0.000	1	105.5385	4.734	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:3:1:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:H-1:	C[6,6]-4:O[5,6]-2:S[5]-3:H-1:	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H)	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H)	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6,6]S[5]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(C[5]S[5]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(O[5,6]C[5,6])(S[5]C[5]C)(H){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	105.5385	4.734	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	O[5,6](C[5,6]C[3,5]C[6]H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H)	O[5,6](C[5,6]C[3,5]C[6]H)2{1|F<1>,2|O<2>,5|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	102.4912	0.984	5	102.4912	0.969	5	102.4912	0.969	5	102.0617	1.882	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:1:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]C[5]H)2	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	O[5,6](C[5,6]C[5,6]C[5]H)2{1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,5|H<1>}	99.9141	0.000	1	99.9141	0.000	1	99.9141	0.000	1	102.0617	1.882	6	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:2:	2:3:4:3:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-2:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]2H)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	103.9225	0.426	2	103.9225	0.182	2	103.9225	0.182	2	103.9225	0.182	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:2:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H)	O[5,6](C[5,6]C[5,5,6]C[5]O)(C[5,6]C[5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]CH)(H){1|H<1>,2|O<2>,3|C<4>}	104.0190	0.291	2	104.0190	0.085	2	104.0190	0.085	2	104.0190	0.085	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:1:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:2:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:O[5,6]-2:C[5]-4:S-2:	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]HS)(O[5,6]C[5,6])(C[5]C[5]HH)(SC){3|C<4>,3|H<1>}	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){4|C<4>,5|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	105.7815	0.310	2	105.7815	0.096	2	105.7815	0.096	2	105.7815	0.096	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:3:2:1:	4:3:2:4:	C[5,6]-4:C[5,6]-4:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	104.5770	0.547	2	104.5770	0.300	2	104.5770	0.300	2	104.5770	0.300	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:3:2:3:	3:2:3:4:	C[5,6]-4:C[5,6]-4:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	105.3470	0.496	2	105.3470	0.246	2	105.3470	0.246	2	105.3470	0.246	2	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	2:3:4:3:	C[5,6]-4:C[5,6]-4:	C[6,6]-4:C[5]-4:O[5,6]-2:C-2:	O[5,6]-2:C[6]-3:C[5]-4:N-3:	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN)	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH)	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6,6]O)(C[5]C[5]HH)(NCH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:4:2:2:	4:4:2:1:	C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H)	O[5,6](C[5,6]C[5,5,6]C[5,5]O)(C[5,6]C[5,5]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	104.5882	0.219	5	104.5882	0.048	5	104.5882	0.048	5	104.5882	0.048	5	102.5917	2.585	218	103.2480	3.530	350
976	474	474	6:SP3_SP3_SP3	O[5,6]	C[5,6]	C[5,6]	4:4:	4:4:2:4:	4:2:4:4:	C[5,6]-4:C[5,6]-4:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C){2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|H<1>}	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	102.5917	2.585	218	103.2480	3.530	350