893	466	856	0:SP3_SP2_SP3	O	C[6]	N[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:N[6]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2H)(N[6]C[6]2)	C[6](C[6]C[6]HH)2(ON[6])(H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	O(C[6]C[6]2H)(N[6]C[6]2)	C[6](C[6]C[6]HH)2(ON[6])(H){1|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1
893	466	856	0:SP3_SP3_SP3	O	C[6]	N[6]	4:3:	4:4:2:1:	4:4:2:	C[6]-4:N[6]-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC[6])	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(OC[6]){1|C<4>,4|H<1>}	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1
893	466	863	0:SP2_SP2_SP3	O	C[6]	O	4:1:	4:4:4:2:	2:	C[6]-4:O-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	O(OC[6])	O(C[6]C[5,6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	O(OC[6])	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1
893	466	880	0:SP3_SP3_SP3	O	C[3x6]	Si	4:4:	4:3:2:2:	2:4:4:4:	C[3x6]-4:Si-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[3x6]C[6,6]2O[6,6])(SiC3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	Si(OC[3x6])(CC3)(CH3)2	O(C[3x6]C[6,6]2O[6,6])(SiC3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi){2|C<4>,2|H<1>}	Si(OC[3x6])(CC3)(CH3)2	130.7260	0.827	2	130.7260	0.684	2	130.7260	0.684	2	130.7260	0.684	2	134.1298	18.063	4	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[3x6]	Si	4:4:	4:3:3:2:	2:4:4:4:	C[3x6]-4:Si-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[3x6]C[6,6]3)(SiC3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	Si(OC[3x6])(CC3)(CH3)2	O(C[3x6]C[6,6]3)(SiC3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	Si(OC[3x6])(CC3)(CH3)2	135.6410	0.000	1	135.6410	0.000	1	135.6410	0.000	1	135.6410	0.000	1	134.1298	18.063	4	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[3x6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[3x6]-4:Si-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	Si(OC[3x6])(CCHH)3	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	Si(OC[3x6])(CCHH)3	139.4260	0.000	1	139.4260	0.000	1	139.4260	0.000	1	139.4260	0.000	1	134.1298	18.063	4	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:2:2:2:	2:4:4:4:	C[6,6]-4:Si-4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[6,6]C[6,6]O[6]2)(SiC3)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi)	Si(OC[6,6])(CH3)3	O(C[6,6]C[6,6]O[6]2)(SiC3)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi){1|C<4>,2|C<3>,4|H<1>}	Si(OC[6,6])(CH3)3	129.1090	0.000	1	129.1090	0.000	1	129.1090	0.000	1	129.1090	0.000	1	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	Si(OC[6,6])(CC3)(CH3)2	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	Si(OC[6,6])(CC3)(CH3)2	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H)	Si(OC[6,6])(CC3)(CH3)2	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H){2|C<4>,2|H<1>,2|O<2>}	Si(OC[6,6])(CC3)(CH3)2	124.4840	0.000	1	124.4840	0.000	1	123.6210	5.578	6	124.8640	16.640	8	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	Si(OC[6,6])(CH3)3	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	Si(OC[6,6])(CH3)3	122.8950	0.000	1	122.8950	0.000	1	123.6210	5.578	6	124.8640	16.640	8	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	Si(OC[6,6])(CC3)(CH3)2	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	Si(OC[6,6])(CC3)(CH3)2	123.5867	2.978	4	123.5867	8.871	4	123.6210	5.578	6	124.8640	16.640	8	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[4x6]2H)(SiC3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	Si(OC[6,6])(CCHH)3	O(C[6,6]C[4x6]2H)(SiC3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	Si(OC[6,6])(CCHH)3	123.5180	0.000	1	123.5180	0.000	1	123.5180	0.000	1	124.8640	16.640	8	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6,6]-4:Si-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6,6]C[6,6]2H)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	Si(OC[6,6])(CCCH)3	O(C[6,6]C[6,6]2H)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	Si(OC[6,6])(CCCH)3	133.6680	0.000	1	133.6680	0.000	1	133.6680	0.000	1	124.8640	16.640	8	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[6,6]-4:Si-4:	C[3x6]-4:C[3x6]-4:O-2:C-2:	O-2:C-4:C-4:C-4:	O(C[6,6]C[3x6]2C)(SiC3)	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN)	Si(OC[6,6])(CH3)3	O(C[6,6]C[3x6]2C)(SiC3)	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN){2|C<4>,8|H<1>}	Si(OC[6,6])(CH3)3	133.0580	0.000	1	133.0580	0.000	1	133.0580	0.000	1	133.0580	0.000	1	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[6,6]-4:Si-4:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	Si(OC[6,6])(CH3)3	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	Si(OC[6,6])(CH3)3	140.1730	0.000	1	140.1730	0.000	1	140.1730	0.000	1	140.8780	0.994	2	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6,6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[6,6]-4:Si-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6,6]C[6,6]C[6]2)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	Si(OC[6,6])(CCCH)3	O(C[6,6]C[6,6]C[6]2)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	Si(OC[6,6])(CCCH)3	141.5830	0.000	1	141.5830	0.000	1	141.5830	0.000	1	140.8780	0.994	2	128.3836	46.346	13	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	2:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	O[6]-2:C[6]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	Si(OC[6])(CH3)3	135.1810	0.000	1	134.9730	0.087	2	134.9730	0.087	2	134.9730	0.087	2	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	2:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	O[6]-2:C[6]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	Si(OC[6])(CH3)3	134.7650	0.000	1	134.9730	0.087	2	134.9730	0.087	2	134.9730	0.087	2	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:2:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){1|C<4>,3|H<1>,4|C<3>}	Si(OC[6])(CH3)3	131.0300	0.000	1	131.4025	0.278	2	131.4025	0.278	2	131.4025	0.278	2	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:2:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	Si(OC[6])(CH3)3	131.7750	0.000	1	131.4025	0.278	2	131.4025	0.278	2	131.4025	0.278	2	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:3:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]H)2(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]H)2(OSi)(H){1|C<4>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	125.7140	0.000	1	125.7140	0.000	1	125.7140	0.000	1	125.7140	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:3:2:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-3:C[6]-3:O-2:C-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]H)2(OSi)(CN)	Si(OC[6])(CH3)3	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]H)2(OSi)(CN){1|C<4>,2|H<1>}	Si(OC[6])(CH3)3	130.1210	0.000	1	130.1210	0.000	1	130.1210	0.000	1	130.1210	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:3:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]2C[6])(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6,6a]2C[6])(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	Si(OC[6])(CH3)3	131.6350	0.000	1	131.6350	0.000	1	131.6350	0.000	1	131.6350	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	125.6290	0.000	1	125.6290	0.000	1	127.1173	1.698	3	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	127.6700	0.000	1	127.6700	0.000	1	127.1173	1.698	3	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	Si(OC[6])(CH3)3	128.0530	0.000	1	128.0530	0.000	1	127.1173	1.698	3	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6a]C[6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	Si(OC[6])(CC3)(CH3)2	126.0300	0.000	1	126.0300	0.000	1	126.0300	0.000	1	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	130.0050	0.000	1	130.0050	0.000	1	127.9428	8.369	6	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	122.1740	0.000	1	122.1740	0.000	1	127.9428	8.369	6	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	128.8695	0.541	4	128.8695	0.293	4	127.9428	8.369	6	127.1689	6.136	11	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	134.9130	0.000	1	134.9130	0.000	1	134.9130	0.000	1	131.0720	12.616	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	130.3970	0.000	1	130.3970	0.000	1	129.1515	3.103	2	131.0720	12.616	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	127.9060	0.000	1	127.9060	0.000	1	129.1515	3.103	2	131.0720	12.616	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	3:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6a]C[6]2)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6a]C[6]2)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	Si(OC[6])(CC3)(CH3)2	133.3930	0.000	1	133.3930	0.000	1	133.3930	0.000	1	133.3930	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:2:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]O[6]C)(SiC3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6]O[6]C)(SiC3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	Si(OC[6])(CH3)3	134.2080	0.000	1	134.2080	0.000	1	134.2080	0.000	1	134.2080	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	125.9537	1.914	8	125.9537	3.663	8	125.9537	3.663	8	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	Si(OC[6])(CH3)3	128.6380	0.000	1	128.6380	0.000	1	128.6370	0.000	2	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	Si(OC[6])(CC3)(CH3)2	128.6360	0.000	1	128.6360	0.000	1	128.6370	0.000	2	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	127.6670	0.000	1	126.5865	2.335	2	126.7787	1.278	3	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	Si(OC[6])(CC3)(CH3)2	125.5060	0.000	1	126.5865	2.335	2	126.7787	1.278	3	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	127.1630	0.000	1	127.1630	0.000	1	126.7787	1.278	3	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	123.6870	0.000	1	123.6870	0.000	1	124.6713	2.951	4	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CC3)(CH3)2	126.4380	0.000	1	126.4380	0.000	1	124.6713	2.951	4	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	125.7730	0.000	1	125.7730	0.000	1	124.6713	2.951	4	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CC3)(CH3)2	122.7870	0.000	1	122.7870	0.000	1	124.6713	2.951	4	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Si(OC[6])(CH3)3	124.9990	0.000	1	124.9990	0.000	1	124.9990	0.000	1	126.0513	3.577	18	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	125.1060	0.000	1	125.1060	0.000	1	125.1060	0.000	1	125.1060	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:2:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-3:O-2:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	Si(OC[6])(CH3)3	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	Si(OC[6])(CH3)3	141.8740	0.000	1	141.8740	0.000	1	141.8740	0.000	1	141.8740	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:3:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:N[6]-3:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]N[6]C)(SiC3)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]N[6]C)(SiC3)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	142.1590	1.097	2	142.1590	1.204	2	142.1590	1.204	2	142.1590	1.204	2	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:2:2:2:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-2:	O(C[6]C[6]2H)(SiO3)	C[6](C[6]C[6]HH)2(OSi)(H)	Si(OC[6])4	O(C[6]C[6]2H)(SiO3)	C[6](C[6]C[6]HH)2(OSi)(H){1|N<3>,4|C<4>}	Si(OC[6])4	126.2032	3.389	4	126.2032	11.489	4	126.2032	11.489	4	126.2032	11.489	4	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:3:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-3:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H)	Si(OC[6])(CH3)2(CCC)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	Si(OC[6])(CH3)2(CCC)	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	Si(OC[6])(CC3)(CH3)2	130.8780	0.000	1	130.8780	0.000	1	127.9963	3.808	4	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	127.0357	0.419	3	127.0357	0.175	3	127.9963	3.808	4	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	125.5310	0.000	1	125.5310	0.000	1	125.5310	0.000	1	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,5,6]C[6]H)(SiC3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,5,6]C[6]H)(SiC3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	Si(OC[6])(CC3)(CH3)2	126.0635	4.803	2	126.0635	23.072	2	126.0635	23.072	2	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	Si(OC[6])(CC3)(CH3)2	126.4490	0.000	1	126.4490	0.000	1	126.6830	0.110	2	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	126.9170	0.000	1	126.9170	0.000	1	126.6830	0.110	2	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	Si(OC[6])(CC3)(CH3)2	126.5460	3.520	2	126.5460	12.390	2	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	Si(OC[6])(CH3)3	124.1820	0.000	1	124.1820	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	Si(OC[6])(CC3)(CH3)2	133.0690	0.000	1	133.0690	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CCCH)3	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	Si(OC[6])(CCCH)3	130.1170	0.000	1	130.1170	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	127.0070	4.581	2	127.0070	20.982	2	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	125.0920	2.708	2	126.5000	9.615	3	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	Si(OC[6])(CC3)(CH3)2	129.3160	0.000	1	126.5000	9.615	3	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Si(OC[6])(CC3)(CH3)2	124.6450	0.000	2	124.6450	0.000	2	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	128.6270	0.000	1	128.6270	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	130.7300	0.072	2	130.7300	0.005	2	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	126.4350	0.000	1	126.4350	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Si(OC[6])(CCHH)3	129.2680	0.000	1	129.2680	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	Si(OC[6])(CH3)3	132.1790	0.000	1	132.1790	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	Si(OC[6])(CC3)(CH3)2	123.7700	0.000	1	123.7700	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	125.2380	0.000	1	125.2380	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	Si(OC[6])(CH3)3	121.5990	0.000	1	121.5990	0.000	1	127.2305	11.185	21	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	Si(OC[6])(CC3)(CH3)2	126.3980	0.000	1	126.3980	0.000	1	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	Si(OC[6])(CC3)(CH3)2	138.6440	0.000	1	138.6440	0.000	1	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	125.1580	0.000	1	125.1580	0.000	1	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	128.6280	0.000	1	128.6280	0.000	1	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	Si(OC[6])(CC3)(CH3)2	129.0390	0.000	1	126.6003	5.407	3	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	125.3810	1.376	2	126.6003	5.407	3	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	127.0828	2.296	4	127.0828	5.273	4	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	129.7100	0.000	1	129.7100	0.000	1	128.0558	14.827	12	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	127.8740	0.000	1	127.8740	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	Si(OC[6])(CC3)(CH3)2	121.2850	0.000	1	121.2850	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	121.7170	0.000	1	121.7170	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	124.7640	0.000	1	124.7640	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	120.0130	0.000	1	120.0130	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	126.3540	0.000	1	126.3540	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	Si(OC[6])(CCHH)3	129.1950	0.000	1	129.1950	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CCCH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[6])(CCCH)3	133.0940	0.000	1	133.0940	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	132.0035	1.293	6	132.0035	1.672	6	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	Si(OC[6])(CCHH)3	126.5420	0.000	1	126.5420	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	Si(OC[6])(CC3)(CH3)2	132.3580	0.470	4	131.3533	4.736	6	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	129.3440	3.302	2	131.3533	4.736	6	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	125.1880	0.000	1	125.1880	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	Si(OC[6])(CH3)3	123.5120	0.000	1	123.5120	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	127.9790	2.058	5	127.9790	4.237	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	127.4930	0.000	1	127.4930	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	Si(OC[6])(CCCH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	Si(OC[6])(CCCH)3	135.7220	0.000	1	135.7220	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	123.1620	0.000	1	123.1620	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	125.8422	1.991	8	126.6036	5.660	10	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	129.6490	0.000	2	126.6036	5.660	10	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	Si(OC[6])(CCHH)3	129.5370	0.000	2	129.0005	0.384	4	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	Si(OC[6])(CCHH)3	128.4640	0.000	2	129.0005	0.384	4	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	123.3820	0.000	1	126.3060	17.100	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	129.2300	0.000	1	126.3060	17.100	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	123.0200	0.000	1	123.2460	0.102	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	123.4720	0.000	1	123.2460	0.102	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	128.4575	0.241	2	126.7954	6.006	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	125.5470	0.000	1	126.7954	6.006	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	125.7575	3.837	2	126.7954	6.006	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H){1|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	128.3000	0.000	1	128.3000	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	126.0310	1.881	2	126.3077	1.999	3	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	Si(OC[6])(CC3)(CH3)2	126.8610	0.000	1	126.3077	1.999	3	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	127.2500	0.000	1	125.5205	5.982	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	123.7910	0.000	1	125.5205	5.982	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	Si(OC[6])(CC3)(CH3)2	123.7460	0.000	1	123.7460	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	126.3090	3.724	2	127.4772	7.174	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	130.8740	0.000	1	127.4772	7.174	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	126.9470	0.000	2	127.4772	7.174	5	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	Si(OC[6])(CC3)(CH3)2	125.4370	0.000	1	125.4370	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	Si(OC[6])(CC3)(CH3)2	129.0230	0.000	1	129.0230	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CC3)(CH3)2	130.8080	1.007	2	130.8080	1.014	2	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	Si(OC[6])(CCHH)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	Si(OC[6])(CCHH)3	128.3350	0.000	1	128.3350	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CH3)3	126.1808	1.581	4	126.1808	2.500	4	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CH3)3	123.7095	2.940	4	123.7095	8.642	4	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	Si(OC[6])(CC3)(CH3)2	124.6750	0.000	1	124.6750	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	124.6010	0.000	1	124.6010	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H)	Si(OC[6])(CH3)3	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	Si(OC[6])(CH3)3	122.4510	2.084	3	122.4510	4.343	3	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	124.0350	0.000	1	124.0350	0.000	1	127.1188	11.754	85	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:Si-4:Si-4:Si-4:	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H)	Si(OC[6])(SiC3)3	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	Si(OC[6])(SiC3)3	128.1635	2.597	4	128.1635	6.744	4	128.1635	6.744	4	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:O-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	Si(OC[6])(CC3)(CH3)2	127.8190	0.000	1	127.8190	0.000	1	127.8190	0.000	1	127.2507	11.073	132	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	3:2:4:2:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-2:	O(C[6]C[6]2H)(SiC[6a]CO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	O(C[6]C[6]2H)(SiC[6a]CO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	131.1750	3.272	2	131.1750	10.709	2	130.6097	6.313	3	130.6097	6.313	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[6])(CC3)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	Si(C[6a]C[6a]2)2(OC[6])(CC3)	129.4790	0.000	1	129.4790	0.000	1	130.6097	6.313	3	130.6097	6.313	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:2:	2:2:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:O-2:C-4:C-4:	O(C[6]C[6]2O)(SiCCO)	C[6](C[6]C[6]HH)2(OSi)2	Si(OC[6])2(CCHH)2	O(C[6]C[6]2O)(SiCCO)	C[6](C[6]C[6]HH)2(OSi)2{1|C<4>,4|H<1>}	Si(OC[6])2(CCHH)2	129.9865	1.804	4	129.9865	3.256	4	129.9865	3.256	4	129.9865	3.256	4	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:O-2:C-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	Si(OC[6])(CC3)(CH3)2	134.4250	0.000	1	134.4250	0.000	1	134.4250	0.000	1	136.1377	25.058	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:C-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	Si(OC[6])(CH3)3	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	Si(OC[6])(CH3)3	141.7750	0.000	1	141.7750	0.000	1	136.9940	45.716	2	136.1377	25.058	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:O-2:C-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(CN)	Si(OC[6])(CH3)3	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	Si(OC[6])(CH3)3	132.2130	0.000	1	132.2130	0.000	1	136.9940	45.716	2	136.1377	25.058	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	Si(OC[6])(CC3)(CH3)2	136.9899	2.950	8	136.9899	8.703	8	137.7282	12.522	9	139.1041	34.397	12	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Si(OC[6])(CC3)(CH3)2	143.6350	0.000	1	143.6350	0.000	1	137.7282	12.522	9	139.1041	34.397	12	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	139.8140	0.000	1	139.8140	0.000	1	137.4715	10.975	2	139.1041	34.397	12	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(CCO)(OSi)	Si(OC[6])(CCHH)3	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(CCO)(OSi){1|C<4>,4|H<1>}	Si(OC[6])(CCHH)3	135.1290	0.000	1	135.1290	0.000	1	137.4715	10.975	2	139.1041	34.397	12	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	Si(OC[6])(CH3)3	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	Si(OC[6])(CH3)3	154.7520	0.000	1	154.7520	0.000	1	154.7520	0.000	1	139.1041	34.397	12	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	Si(OC[6])(CC3)(CH3)2	141.0430	0.000	1	141.0430	0.000	1	142.0480	2.020	2	140.8567	5.268	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	Si(OC[6])(CC3)(CH3)2	143.0530	0.000	1	143.0530	0.000	1	142.0480	2.020	2	140.8567	5.268	3	128.6768	25.258	208	128.7568	26.596	225
893	466	880	0:SP3_SP3_SP3	O	C[6]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[6]-4:Si-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	Si(OC[6])(CC3)(CH3)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	Si(OC[6])(CC3)(CH3)2	138.4740	0.000	1	138.4740	0.000	1	138.4740	0.000	1	140.8567	5.268	3	128.6768	25.258	208	128.7568	26.596	225
893	466	887	0:SP3_SP3_SP3	O	C[6]	S	4:3:	4:4:2:1:	2:2:1:	C[6]-4:S-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6,6]C[6]H)(SOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	S(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(SOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	S(OC[6])(OC)(O)	119.9550	1.178	2	119.9550	1.388	2	119.9550	1.388	2	119.9550	1.388	2	118.5253	6.826	3	118.5253	6.826	3
893	466	887	0:SP3_SP3_SP3	O	C[6]	S	4:3:	4:4:2:1:	3:2:1:	C[6]-4:S-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(SC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(SC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	118.5253	6.826	3	118.5253	6.826	3
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	3:3:3:2:	2:1:	C[6,6]-4:O-2:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	O-2:H-1:	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	O(OC[6,6])(H)	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:3:4:2:	2:1:	C[6,6]-4:O-2:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	O-2:H-1:	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	O(OC[6,6])(H)	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(OC[6,6])(H)	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:3:4:2:	4:2:	C[6,6]-4:O-2:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:O-2:	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	O(C[6,6]C[6,6]2H)(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	O(C[6,6]C[6,6]2H)(OC[6,6])	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:4:2:1:	2:1:	C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:H-1:	O(C[6,6]C[3x6]C[6,6]H)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	O(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(OC[6,6])(H)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:4:2:1:	4:2:	C[6,6]-4:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:O-2:	O(C[6,6]C[6,6]2H)(OC[6,6])	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	O(C[6,6]C[6,6]2H)(OC[6,6])	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:4:2:2:	2:4:	C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-2:O-2:	O-2:C-4:	O(C[6,6]C[3x6]2O)(OC)	C[6,6](C[3x6]C[6,6]2H)2(OO)2	O(OC[6,6])(CHHN)	O(C[6,6]C[3x6]2O)(OC)	C[6,6](C[3x6]C[6,6]2H)2(OO)2{2|C<4>,8|H<1>}	O(OC[6,6])(CHHN)	109.2009	1.630	8	109.2009	2.656	8	109.2009	2.656	8	109.2009	2.656	8	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:4:3:2:	2:1:	C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	O-2:H-1:	O(C[6,6]C[6,6]C[6]N[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]N[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	O(OC[6,6])(H)	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6,6]	O	4:2:	4:4:4:2:	2:1:	C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:H-1:	O(C[6,6]C[6,6]C[6]2)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]2)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	O(OC[6,6])(H)	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	108.7619	2.683	15	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:2:2:1:	4:2:	C[6]-4:O-2:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:O-2:	O(C[6]C[6,6a]O[6]H)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	O(C[6]C[6,6a]O[6]H)(OC[6])	O(C[6]C[6,6a]O[6]H)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6]H)(OC[6])	105.4810	0.981	3	105.4810	0.962	3	105.4810	0.962	3	105.4810	0.962	3	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:3:2:1:	2:1:	C[6]-4:O-2:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	O-2:H-1:	O(C[6]C[5a,6]N[5,6]H)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	O(OC[6])(H)	O(C[6]C[5a,6]N[5,6]H)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	O(OC[6])(H)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:3:3:2:	2:1:	C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	O-2:H-1:	O(C[6]C[6,6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	O(OC[6])(H)	O(C[6]C[6,6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O(OC[6])(H)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:3:4:2:	2:1:	C[6]-4:O-2:	C[6]-3:C[6]-3:C-4:O-2:	O-2:H-1:	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]H)2(CCHH)(OO)	O(OC[6])(H)	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]H)2(CCHH)(OO){1|C<3>,2|H<1>}	O(OC[6])(H)	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:4:2:1:	2:1:	C[6]-4:O-2:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:	O(C[6]C[5a,6]C[6]H)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	O(OC[6])(H)	O(C[6]C[5a,6]C[6]H)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	O(OC[6])(H)	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:4:2:1:	4:2:	C[6]-4:O-2:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:	O(C[6]C[6]N[6]H)(OC[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	O(C[6]C[6]2O)(OC[6])	O(C[6]C[6]N[6]H)(OC[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2O)(OC[6])	108.3245	0.336	2	108.3245	0.113	2	108.3245	0.113	2	108.3245	0.113	2	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	3:4:4:2:	2:1:	C[6]-4:O-2:	C[6]-3:C[6]-4:C-4:O-2:	O-2:H-1:	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	O(OC[6])(H)	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	O(OC[6])(H)	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:2:4:2:	2:1:	C[6]-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:	O(C[6]C[6]O[6]C)(OH)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	O(OC[6])(H)	O(C[6]C[6]O[6]C)(OH)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	O(OC[6])(H)	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:3:2:1:	2:1:	C[6]-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:	O(C[6]C[6]2H)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	O(OC[6])(H)	O(C[6]C[6]2H)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	O(OC[6])(H)	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	106.3647	0.624	3	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:3:2:1:	2:1:	C[6]-4:O-2:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:	O(C[6]C[6]N[6]H)(OH)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	O(OC[6])(H)	O(C[6]C[6]N[6]H)(OH)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	O(OC[6])(H)	105.9115	0.124	2	105.9115	0.015	2	105.9115	0.015	2	106.3647	0.624	3	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:3:3:2:	2:4:	C[6]-4:O-2:	C[6]-4:C[6]-3:C-3:O-2:	O-2:C-4:	O(C[6]C[6]2C)(OC)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	O(OC[6])(CC3)	O(C[6]C[6]2C)(OC)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	O(OC[6])(CC3)	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	2:1:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:	O(C[6]C[6]2O)(OH)	C[6](C[6]C[6]HH)2(OO)2	O(OC[6])(H)	O(C[6]C[6]2O)(OH)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(OC[6])(H)	108.7420	0.687	2	108.7420	0.472	2	108.7420	0.472	2	108.7420	0.472	2	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	2:4:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	O(OC[6])(CHHN)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	O(OC[6])(CHHN)	112.4867	2.258	10	112.4867	5.097	10	111.1747	7.269	15	110.8859	7.025	17	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	2:4:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OC)(OO)	O(OC[6])(CCCO)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	O(OC[6])(CCCO)	108.5110	0.000	1	108.5110	0.000	1	111.1747	7.269	15	110.8859	7.025	17	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	2:4:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OO)2	O(OC[6])(CCHN)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(OC[6])(CCHN)	108.5605	1.190	4	108.5605	1.417	4	111.1747	7.269	15	110.8859	7.025	17	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	2:4:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O-2:Si-4:	O(C[6]C[6]2O)(OSi)	C[6](C[6]C[6]HH)2(OO)2	O(OC[6])(SiC3)	O(C[6]C[6]2O)(OSi)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(OC[6])(SiC3)	108.7200	0.065	2	108.7200	0.004	2	108.7200	0.004	2	110.8859	7.025	17	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	4:2:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]2O)(OC[6])	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC[6])	107.6830	1.073	6	107.6830	1.152	6	107.9180	1.173	8	107.9180	1.173	8	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:2:2:	4:2:	C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]N[6]H)(OC[6])	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]N[6]H)(OC[6])	108.6230	1.062	2	108.6230	1.128	2	107.9180	1.173	8	107.9180	1.173	8	108.8835	7.075	43	108.8521	5.875	58
893	466	893	0:SP3_SP3_SP3	O	C[6]	O	4:2:	4:4:4:2:	2:1:	C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	O(OC[6])(H)	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	O(OC[6])(H)	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	108.8835	7.075	43	108.8521	5.875	58
893	466	899	0:SP3_SP-NON_SP3	O	C[6,6]	C	4:1:	4:4:2:2:	2:	C[6,6]-4:C-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]O)(C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C(OC[6,6])	O(C[6,6]C[3x6]C[6,6]O)(C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(OC[6,6])	115.4425	0.889	2	115.4425	0.790	2	115.4425	0.790	2	115.4425	0.790	2	115.4425	0.790	2	115.4425	0.790	2
893	466	909	0:SP2_SP2_SP3	O	C[6]	S	4:2:	4:4:2:1:	3:2:	C[6]-4:S-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:	O(C[6]C[6]2H)(SC[6a])	C[6](C[6]C[6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])	O(C[6]C[6]2H)(SC[6a])	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6])	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1
893	466	917	0:SP3_SP3_SP3	O	C[3x6]	P[4]	4:4:	4:4:4:2:	3:3:2:1:	C[3x6]-4:P[4]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	N[4]-3:N[4]-3:O-2:S-1:	O(C[3x6]C[6,6]3)(P[4]N[4]2S)	C[3x6](C[6,6]C[3x6]HH)3(OP[4])	P[4](N[4]P[4]C)2(OC[3x6])(S)	O(C[3x6]C[6,6]3)(P[4]N[4]2S)	C[3x6](C[6,6]C[3x6]HH)3(OP[4]){3|C<4>,3|H<1>}	P[4](N[4]P[4]C)2(OC[3x6])(S){1|O<2>,1|S<1>}	133.1280	0.653	2	133.1280	0.427	2	133.1280	0.427	2	133.1280	0.427	2	133.1280	0.427	2	133.1280	0.427	2
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	3:3:3:2:	2:2:1:	C[3x6]-4:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O-2:O-2:S-1:	O(C[3x6]C[6,6,6a]3)(COS)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC)	C(OC[3x6])(OC[6a])(S)	O(C[3x6]C[6,6,6a]3)(COS)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC){1|P<3>,3|H<1>,6|C<3>}	C(OC[3x6])(OC[6a])(S)	123.5465	0.081	2	123.5465	0.007	2	123.5465	0.007	2	123.5465	0.007	2	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:3:2:	2:4:1:	C[3x6]-4:C-3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	O-2:C-4:O-1:	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C(OC[3x6])(CH3)(O)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C(OC[3x6])(CH3)(O)	117.3175	0.189	2	117.3175	0.036	2	117.3175	0.036	2	117.3175	0.036	2	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:3:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-3:H-1:	O(C[3x6]C[6,6]3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(CClC)(H)	O(C[3x6]C[6,6]3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(CClC)(H)	118.2080	0.277	2	118.2080	0.077	2	118.2080	0.077	2	119.9193	1.889	6	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:3:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-3:O-1:	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(COO)(O)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(COO)(O)	120.9900	0.317	2	120.9900	0.100	2	120.9900	0.100	2	119.9193	1.889	6	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:3:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:N-3:O-1:	O(C[3x6]C[6,6]3)(CNO)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(NC[5]N)(O)	O(C[3x6]C[6,6]3)(CNO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(NC[5]N)(O)	120.1740	0.000	1	120.1740	0.000	1	120.5600	0.298	2	119.9193	1.889	6	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:3:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:N-3:O-1:	O(C[3x6]C[6,6]3)(CNO)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(NHN)(O)	O(C[3x6]C[6,6]3)(CNO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(NHN)(O)	120.9460	0.000	1	120.9460	0.000	1	120.5600	0.298	2	119.9193	1.889	6	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:4:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[4x6]-4:O-2:	O-2:C-4:O-1:	O(C[3x6]C[4x6]C[6,6]2)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC)	C(OC[3x6])(CH3)(O)	O(C[3x6]C[4x6]C[6,6]2)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC){5|H<1>,7|C<4>}	C(OC[3x6])(CH3)(O)	124.6490	0.000	1	124.6490	0.000	1	124.6490	0.000	1	122.7604	2.370	5	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:4:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:O-1:	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	C(OC[3x6])(CH3)(O)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	C(OC[3x6])(CH3)(O)	121.0590	0.000	1	121.0590	0.000	1	122.2883	1.674	4	122.7604	2.370	5	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:4:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:O-1:	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(CHII)(O)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(CHII)(O)	121.5200	0.000	1	121.5200	0.000	1	122.2883	1.674	4	122.7604	2.370	5	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	2:4:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:O-1:	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	C(OC[3x6])(CH3)(O)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C(OC[3x6])(CH3)(O)	123.2870	0.962	2	123.2870	0.925	2	122.2883	1.674	4	122.7604	2.370	5	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	3:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	121.5540	0.161	2	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	3:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	N[6]-3:O-2:O-1:	O(C[3x6]C[6,6]3)(CN[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CN[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.5540	0.161	2	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5]-4:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[5]C[5]2C)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[5]C[5]2C)(OC[3x6])(O)	120.5750	0.000	1	120.5750	0.000	1	121.7260	0.535	6	122.0122	0.615	9	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5]-4:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[5]C[5]2O)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[5]C[5]2O)(OC[3x6])(O)	122.4840	0.038	2	122.4840	0.001	2	121.7260	0.535	6	122.0122	0.615	9	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5]-4:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[5]C[5]2S)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[5]C[5]2S)(OC[3x6])(O)	121.6043	0.280	3	121.6043	0.078	3	121.7260	0.535	6	122.0122	0.615	9	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6]-4:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[6]C[6]2Cl)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(OC[3x6])(O)	123.0690	0.000	1	123.0690	0.000	1	122.5847	0.386	3	122.0122	0.615	9	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[3x6]	C	4:3:	4:4:4:2:	4:2:1:	C[3x6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6]-4:O-2:O-1:	O(C[3x6]C[6,6]3)(CC[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(C[6]C[6]2Se)(OC[3x6])(O)	O(C[3x6]C[6,6]3)(CC[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(C[6]C[6]2Se)(OC[3x6])(O)	122.3425	0.648	2	122.3425	0.420	2	122.5847	0.386	3	122.0122	0.615	9	121.3948	3.697	26	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[4x6]	C	4:3:	3:4:4:2:	2:4:1:	C[4x6]-4:C-3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	O-2:C-4:O-1:	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C(OC[4x6])(CH3)(O)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(OC[4x6])(CH3)(O)	124.8010	0.055	2	124.8010	0.003	2	124.8010	0.003	2	124.8010	0.003	2	124.8010	0.003	2	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	3:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[6,6]-3:C[3x6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(CH3)(O)	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:2:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	118.0450	0.000	1	118.0450	0.000	1	118.0450	0.000	1	118.0450	0.000	1	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(CH3)(O)	117.3950	0.000	1	117.3950	0.000	1	117.3950	0.000	1	117.7790	0.207	3	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:2:1:	2:4:1:	C[6,6]-4:C-3:	C[6x6]-4:C[6,6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[6,6]C[6x6]H)(CCO)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	C(OC[6,6])(CCCH)(O)	O(C[6,6]C[6,6]C[6x6]H)(CCO)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C(OC[6,6])(CCCH)(O)	117.9710	0.438	2	117.9710	0.192	2	117.9710	0.192	2	117.7790	0.207	3	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	117.2980	0.449	2	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:2:1:	3:2:1:	C[6,6]-4:C-3:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.2980	0.449	2	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:4:2:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(CH3)(O)	120.0665	2.469	4	120.0665	6.095	4	120.0665	6.095	4	120.0665	6.095	4	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:3:4:2:	4:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6,6]C[3x6]2H)(COO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(OC[6,6])(OC[6a])(O)	O(C[6,6]C[3x6]2H)(COO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6,6])(OC[6a])(O)	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	117.0760	2.114	2	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:O-2:S-1:	O(C[6,6]C[3x6]2H)(COS)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(OC[6,6])(OC[6a])(S)	O(C[6,6]C[3x6]2H)(COS)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6,6])(OC[6a])(S)	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	117.0760	2.114	2	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C(OC[6,6])(CCC)(O)	115.9530	0.000	1	115.9530	0.000	1	116.6868	2.858	4	118.5098	18.761	5	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(OC[6,6])(CCH)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6,6])(CCH)(O)	116.9313	1.982	3	116.9313	3.929	3	116.6868	2.858	4	118.5098	18.761	5	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:3:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6,6]C[6,6]2H)(CCO)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	C(OC[6,6])(CS[5]C)(O)	O(C[6,6]C[6,6]2H)(CCO)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C(OC[6,6])(CS[5]C)(O)	125.8020	0.000	1	125.8020	0.000	1	125.8020	0.000	1	118.5098	18.761	5	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	C(OC[6,6])(CH3)(O)	116.7700	0.730	2	116.7700	0.533	2	117.2727	0.709	13	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	C(OC[6,6])(CH3)(O)	117.6670	0.000	1	117.6670	0.000	1	117.2727	0.709	13	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C(OC[6,6])(CC3)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	C(OC[6,6])(CC3)(O)	117.2470	0.000	1	118.0325	1.234	2	117.2727	0.709	13	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C(OC[6,6])(CC3)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C(OC[6,6])(CC3)(O)	118.8180	0.000	1	118.0325	1.234	2	117.2727	0.709	13	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6,6])(CH3)(O)	117.1591	0.830	8	117.1591	0.689	8	117.2727	0.709	13	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C(OC[6,6])(CH3)(O)	116.8350	0.597	4	116.8350	0.357	4	116.5417	0.514	6	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6,6])(CH3)(O)	115.9550	0.683	2	115.9550	0.467	2	116.5417	0.514	6	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C(OC[6,6])(CH3)(O)	114.4270	0.000	1	115.9123	1.670	3	115.9123	1.670	3	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C(OC[6,6])(CH3)(O)	116.6550	0.173	2	115.9123	1.670	3	115.9123	1.670	3	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:1:	C[6,6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C(OC[6,6])(CH3)(O)	119.5505	1.421	2	119.5505	2.018	2	119.5505	2.018	2	117.1097	1.519	24	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	2:4:2:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:N-2:	O(C[6,6]C[3x6]2H)(CCN)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H)	C(OC[6,6])(CCl3)(NH)	O(C[6,6]C[3x6]2H)(CCN)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H){2|C<4>,8|H<1>}	C(OC[6,6])(CCl3)(NH)	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6,6])(O)	116.2868	0.635	5	116.2868	0.404	5	116.8064	0.976	64	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6,6])(O)	117.1740	1.373	2	117.1740	1.886	2	116.8064	0.976	64	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	117.2447	0.310	3	117.2447	0.096	3	116.8064	0.976	64	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6,6])(O)	116.8166	1.024	54	116.8166	1.049	54	116.8064	0.976	64	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6,6])(O)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[6,6])(O)	116.8130	0.000	1	116.8130	0.000	1	116.8130	0.000	1	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	117.0371	1.122	7	117.0371	1.259	7	117.0371	1.259	7	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6,6])(O)	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	3:2:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6,6]C[6,6]2H)(CC[6a]O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[6,6]2H)(CC[6a]O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(O)	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	116.8567	0.991	75	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C(CC[6]CC)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C(CC[6]CC)(OC[6,6])(O)	117.8955	1.547	4	117.8955	2.392	4	117.4800	2.657	5	117.5220	2.136	6	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(CC[6a]HO)(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(CC[6a]HO)(OC[6,6])(O)	115.8180	0.000	1	115.8180	0.000	1	117.4800	2.657	5	117.5220	2.136	6	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:2:1:	4:2:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.5220	2.136	6	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:3:1:	C[6,6]-4:C-3:	C[3x6]-4:C[3x6]-4:C-4:O-2:	O-2:C-3:O-1:	O(C[6,6]C[3x6]2C)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2C)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	C(OC[6,6])(CCC)(O)	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(CH3)(O)	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	120.2727	0.837	7	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C(OC[6,6])(CF3)(O)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C(OC[6,6])(CF3)(O)	119.5440	0.023	2	119.5440	0.001	2	119.5440	0.001	2	120.2727	0.837	7	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C(OC[6,6])(CH3)(O)	121.0455	0.029	2	120.8817	0.081	3	120.8817	0.081	3	120.2727	0.837	7	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C(OC[6,6])(CH3)(O)	120.5540	0.000	1	120.8817	0.081	3	120.8817	0.081	3	120.2727	0.837	7	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[6,6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	C(OC[6,6])(CH3)(O)	O(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	C(OC[6,6])(CH3)(O)	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	120.2727	0.837	7	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6,6]	C	4:3:	4:4:4:2:	3:2:1:	C[6,6]-4:C-3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[6,6])(O)	120.4945	1.101	2	120.4945	1.212	2	120.4945	1.212	2	120.4945	1.212	2	117.4554	2.984	135	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	2:4:2:1:	2:4:1:	C[6]-4:C-3:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(O)	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	2:4:2:1:	3:2:1:	C[6]-4:C-3:	O[6]-2:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-3:N[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C(OC[6])(CH3)(O)	115.2610	0.000	1	115.2610	0.000	1	116.4540	2.846	2	116.4540	2.846	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-3:N[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C(OC[6])(CH3)(O)	117.6470	0.000	1	117.6470	0.000	1	116.4540	2.846	2	116.4540	2.846	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[5]-3:O-2:O-1:	O(C[6]C[5a,6]N[6]H)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C(C[5]C[5]2)(OC[6])(O)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(OC[6])(O)	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	117.3685	0.521	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[5]-3:O-2:O-1:	O(C[6]C[6,6a]N[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C(C[5]C[5]2)(OC[6])(O)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(OC[6])(O)	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.3685	0.521	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:O-2:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C(OC[6])(CH3)(O)	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	117.0920	0.157	2	116.9813	0.085	4	116.9813	0.085	4	116.9813	0.085	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:2:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:O-2:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	C(OC[6])(CH3)(O)	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	116.8705	0.426	2	116.9813	0.085	4	116.9813	0.085	4	116.9813	0.085	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	2:3:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:N-3:O-1:	O(C[6]C[6,6a]C[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C(OC[6])(NCH)(O)	O(C[6]C[6,6a]C[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(NCH)(O)	116.7880	0.000	1	116.7880	0.000	1	116.7880	0.000	1	116.7880	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(OC[6])(CCHH)(O)	112.7310	2.635	2	112.7310	6.942	2	114.5556	1.596	14	114.5556	1.596	14	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(OC[6])(CH3)(O)	114.8986	0.379	7	114.8986	0.143	7	114.5556	1.596	14	114.5556	1.596	14	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	115.9495	0.351	2	115.9495	0.124	2	114.5556	1.596	14	114.5556	1.596	14	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]O)2(CH3)(OC)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(OC[6])(CCCH)(O)	114.0427	0.576	3	114.0427	0.332	3	114.5556	1.596	14	114.5556	1.596	14	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	4:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	118.1960	0.000	1	118.1960	0.000	1	118.1960	0.000	1	118.4275	0.107	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:3:4:2:	4:2:1:	C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	118.6590	0.000	1	118.6590	0.000	1	118.6590	0.000	1	118.4275	0.107	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C(OC[6])(CCH)(O)	116.7930	0.000	1	116.7930	0.000	1	116.7930	0.000	1	117.4467	0.393	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C(OC[6])(CCH)(O)	118.0420	0.000	1	118.0420	0.000	1	117.7735	0.144	2	117.4467	0.393	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(OC[6])(CCC)(O)	117.5050	0.000	1	117.5050	0.000	1	117.7735	0.144	2	117.4467	0.393	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	115.5430	0.000	1	115.5430	0.000	1	115.8455	0.183	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	116.1480	0.000	1	116.1480	0.000	1	115.8455	0.183	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(OC[6])(CH3)(O)	120.8620	0.000	1	120.8620	0.000	1	120.3340	0.558	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C(OC[6])(CH3)(O)	119.8060	0.000	1	119.8060	0.000	1	120.3340	0.558	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(O)	115.5810	0.000	1	115.5810	0.000	1	117.4215	1.155	6	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	117.8470	0.000	1	117.8470	0.000	1	117.4215	1.155	6	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	117.6605	0.449	2	118.0210	0.491	3	117.4215	1.155	6	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.7420	0.000	1	118.0210	0.491	3	117.4215	1.155	6	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	117.0380	0.000	1	117.0380	0.000	1	117.4215	1.155	6	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(CCCH)(O)	117.6980	0.000	1	117.6980	0.000	1	117.5085	0.072	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C(OC[6])(CCCH)(O)	117.3190	0.000	1	117.3190	0.000	1	117.5085	0.072	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(OC[6])(CH3)(O)	117.3290	0.000	1	117.3290	0.000	1	117.2200	0.024	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.1110	0.000	1	117.1110	0.000	1	117.2200	0.024	2	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C(OC[6])(CC3)(O)	117.5715	0.726	2	117.5715	0.527	2	117.7192	1.101	9	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(O)	118.4042	0.939	4	118.4042	0.881	4	117.7192	1.101	9	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(O)	116.9043	0.928	3	116.9043	0.861	3	117.7192	1.101	9	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.1930	0.219	2	118.1930	0.048	2	116.1289	2.714	7	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	115.3032	1.037	5	115.3032	1.076	5	116.1289	2.714	7	117.3174	2.212	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8350	0.000	1	116.8350	0.000	1	116.8350	0.000	1	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.1010	0.382	2	118.1010	0.146	2	118.1010	0.146	2	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	117.7050	0.000	1	117.7050	0.000	1	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	117.7400	0.910	3	117.7400	0.829	3	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.2170	0.000	1	118.2170	0.000	1	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.0955	0.026	2	117.0704	1.202	5	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9320	0.000	1	117.0704	1.202	5	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.7280	0.000	1	117.0704	1.202	5	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.5010	0.000	1	117.0704	1.202	5	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	114.6840	0.000	1	114.6840	0.000	1	117.1980	1.504	11	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.4750	0.000	1	117.4750	0.000	1	117.1916	1.312	5	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.7470	0.000	1	115.7470	0.000	1	117.1916	1.312	5	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.9020	0.000	1	117.5787	1.316	3	117.1916	1.312	5	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.9170	0.068	2	117.5787	1.316	3	117.1916	1.312	5	117.1715	1.304	23	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(CC[6a]CO)(OC[6])(O)	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(CC[6a]HO)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(CC[6a]HO)(OC[6])(O)	117.8040	0.000	2	117.8040	0.000	2	117.8040	0.000	2	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C(CC[6a]CO)(OC[6])(O)	113.9390	0.000	1	113.9390	0.000	1	116.2620	2.498	4	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(CC[6a]HO)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[6a]HO)(OC[6])(O)	117.0363	0.387	3	117.0363	0.150	3	116.2620	2.498	4	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6,6a]C[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C(C[5]C[5]2Fe)(OC[6])(O)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5]2Fe)(OC[6])(O)	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	117.2734	1.961	9	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:3:2:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C(OC[6])(CH3)(O)	119.5710	0.000	1	119.0883	0.953	3	119.0883	0.953	3	119.0883	0.953	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:3:2:	2:4:1:	C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C(OC[6])(CH3)(O)	118.8470	1.247	2	119.0883	0.953	3	119.0883	0.953	3	119.0883	0.953	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:3:2:	3:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	3:4:4:2:	4:2:1:	C[6]-4:C-3:	C[6]-3:C[6]-4:C-4:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2C)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2C)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(OC)(O)	115.0660	0.000	1	115.0660	0.000	1	115.0660	0.000	1	115.0660	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-3:H-1:	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CHH)(H)	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CHH)(H)	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	115.8850	8.862	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCH)(O)	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	115.8850	8.862	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	117.4690	0.000	1	117.4690	0.000	1	117.4550	0.000	2	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	C(OC[6])(CC3)(O)	117.4410	0.000	1	117.4410	0.000	1	117.4550	0.000	2	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	116.5820	0.000	1	116.5820	0.000	1	117.1357	0.315	3	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(OC[6])(CH3)(O)	117.4125	0.414	2	117.4125	0.171	2	117.1357	0.315	3	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:N-1:	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCl3)(N)	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCl3)(N)	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.1290	0.000	1	115.7170	0.339	2	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	115.3050	0.000	1	115.7170	0.339	2	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	116.8630	0.000	1	116.8630	0.000	1	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	C(OC[6])(CCHN)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHN)(O)	114.9530	0.000	1	114.9530	0.000	1	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.9002	1.009	4	116.9002	1.017	4	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.2428	0.076	4	117.2428	0.006	4	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHH)(O)	118.2800	0.000	1	118.2800	0.000	1	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	115.9413	0.726	3	116.6176	0.431	10	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C(OC[6])(CH3)(O)	117.1020	0.144	2	116.6176	0.431	10	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.8296	0.430	5	116.6176	0.431	10	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CHHO)(O)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CHHO)(O)	114.5250	0.000	1	114.5250	0.000	1	116.6168	0.903	24	116.6038	1.153	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	2:4:2:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:N-2:	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCl3)(NH)	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CCl3)(NH)	116.8160	0.000	1	116.8160	0.000	1	116.8160	0.000	1	116.8160	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8250	0.000	1	116.8250	0.000	1	116.0333	0.574	4	116.0333	0.574	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.3610	0.000	1	115.3610	0.000	1	116.0333	0.574	4	116.0333	0.574	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.4090	0.000	1	115.4090	0.000	1	116.0333	0.574	4	116.0333	0.574	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5380	0.000	1	116.5380	0.000	1	116.0333	0.574	4	116.0333	0.574	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[6]C[6]O[6]H)(CC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]O[6]H)(CC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(CCH)	119.6820	0.000	1	119.6820	0.000	1	119.6820	0.000	1	119.6820	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:2:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[6]C[6]O[6]H)(CC[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6]C[6,6]C[6]C)(OC[6])(O)	O(C[6]C[6]O[6]H)(CC[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OC[6])(O)	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(OC)(O)	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(OC[6])(CCC)(O)	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	117.8730	6.603	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5a,6]C[6,6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C(OC[6])(CCC)(O)	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	117.8730	6.603	2	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[3x6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	C(OC[6])(CH3)(O)	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C(OC[6])(CCHH)(O)	115.8820	0.000	1	115.8820	0.000	1	116.4343	0.681	3	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	116.0380	0.000	1	116.0380	0.000	1	116.4343	0.681	3	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C(OC[6])(CH3)(O)	117.3830	0.000	1	117.3830	0.000	1	116.4343	0.681	3	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	C(OC[6])(CH3)(O)	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(O)	116.8590	0.741	2	116.8590	0.549	2	116.9642	0.420	8	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.1150	0.000	1	116.1150	0.000	1	116.9642	0.420	8	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.5430	0.520	2	117.5430	0.271	2	116.9642	0.420	8	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.2160	0.464	2	117.2160	0.215	2	116.9642	0.420	8	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	116.3630	0.000	1	116.3630	0.000	1	116.9642	0.420	8	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:N[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]N[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]N[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	C(OC[6])(CH3)(O)	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6a]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6a]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C(OC[6])(CH3)(O)	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	119.0880	0.000	1	119.0880	0.000	1	117.5240	0.975	5	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	117.3310	0.130	2	117.3310	0.017	2	117.5240	0.975	5	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	116.3570	0.000	1	116.3570	0.000	1	117.5240	0.975	5	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C(OC[6])(CC3)(O)	117.5130	0.000	1	117.5130	0.000	1	117.5240	0.975	5	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.2560	0.144	2	117.2560	0.021	2	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C(OC[6])(CH3)(O)	116.5880	0.000	1	116.5880	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	C(OC[6])(CCCH)(O)	119.5530	0.000	1	119.5530	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CHHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CHHO)(O)	116.8250	0.000	1	116.8250	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	115.9030	0.000	1	115.9030	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C(OC[6])(CH3)(O)	116.8473	0.659	4	116.9032	0.341	5	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.1270	0.000	1	116.9032	0.341	5	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.3640	0.789	2	117.3640	0.623	2	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(OC[6])(CCHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C(OC[6])(CCHO)(O)	115.7640	0.752	6	115.7640	0.566	6	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	118.2785	1.258	2	117.8440	6.253	5	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	115.0060	0.000	1	117.8440	6.253	5	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.8285	3.614	2	117.8440	6.253	5	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.4440	0.000	1	117.4440	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	114.5230	0.000	1	114.5230	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	115.8200	0.000	1	115.9395	0.029	2	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	116.0590	0.000	1	115.9395	0.029	2	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	116.6850	0.000	1	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	114.9110	0.000	1	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.7130	1.613	3	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	115.1170	0.000	1	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	119.3660	0.000	1	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	116.7393	0.966	3	116.9436	2.486	10	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	119.1370	0.000	1	119.1370	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.8420	0.000	1	117.8420	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.0590	0.000	1	117.0590	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	C(OC[6])(CH3)(O)	116.8960	0.000	1	116.8960	0.000	1	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	116.7916	0.989	5	116.9132	0.872	6	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C(OC[6])(CH3)(O)	117.5210	0.000	1	116.9132	0.872	6	116.9192	1.943	48	116.9502	1.525	70	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	2:4:3:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-3:	O(C[6]C[6,6]C[6]H)(CCC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(CHH)	O(C[6]C[6,6]C[6]H)(CCC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(CHH)	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.8170	0.000	1	115.8170	0.000	1	115.8170	0.000	1	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.7530	0.000	1	118.7530	0.000	1	118.7530	0.000	1	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5410	0.199	2	117.5410	0.040	2	117.5410	0.040	2	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	117.0880	0.000	1	117.0880	0.000	1	117.3770	2.058	6	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.5760	0.655	2	118.5760	0.429	2	117.3770	2.058	6	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.0530	0.000	1	116.0530	0.000	1	117.3770	2.058	6	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.5400	0.000	1	116.9845	4.839	2	117.3770	2.058	6	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	115.4290	0.000	1	116.9845	4.839	2	117.3770	2.058	6	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1220	0.000	1	117.1220	0.000	1	117.5575	0.379	2	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9930	0.000	1	117.9930	0.000	1	117.5575	0.379	2	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9375	2.303	2	117.9375	5.304	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1210	0.000	2	117.1210	0.000	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	118.8370	0.000	1	118.8370	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	116.4900	0.000	1	116.4900	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.7400	0.000	1	118.7400	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6140	0.000	1	117.6140	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9620	0.000	1	117.9620	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.3800	0.000	1	115.3800	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5010	0.000	1	117.5010	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5440	0.000	1	116.8925	0.243	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.2410	0.000	1	116.8925	0.243	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.8480	0.000	1	118.0100	1.404	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1720	0.000	1	118.0100	1.404	2	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	119.3230	0.000	1	119.3230	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5330	0.000	1	116.5330	0.000	1	117.5472	1.385	17	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	117.5013	1.324	31	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	C(CC[6a]CO)(OC[6])(O)	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	116.7170	1.939	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	115.2840	0.000	1	115.2840	0.000	1	116.6745	3.867	2	116.7170	1.939	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	118.0650	0.000	1	118.0650	0.000	1	116.6745	3.867	2	116.7170	1.939	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:3:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3670	0.000	1	117.3670	0.000	1	117.3670	0.000	1	117.3670	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:3:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(O)	118.5210	0.000	1	118.5210	0.000	1	118.5210	0.000	1	118.5210	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(H)(O)	117.5740	0.000	1	117.5740	0.000	1	117.0145	0.626	2	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(OC[6])(H)(O)	116.4550	0.000	1	116.4550	0.000	1	117.0145	0.626	2	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(H)(O)	117.4330	0.000	1	117.4330	0.000	1	117.0635	0.273	2	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(H)(O)	116.6940	0.000	1	116.6940	0.000	1	117.0635	0.273	2	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	C(OC[6])(H)(O)	115.5410	0.000	2	115.5410	0.000	2	115.9377	0.472	3	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:1:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:O-1:	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)(O)	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)(O)	116.7310	0.000	1	116.7310	0.000	1	115.9377	0.472	3	116.5670	0.654	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[4,6]C[6]H)(COO)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[4,6]C[6]H)(COO)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(OC)(O)	115.5130	0.000	2	115.5130	0.000	2	115.5130	0.000	2	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:S-2:S-1:	O(C[6]C[5,6]C[6]H)(CSS)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C(OC[6])(SC)(S)	O(C[6]C[5,6]C[6]H)(CSS)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(SC)(S)	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-2:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C(OC[6])(CC)(O)	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(OC)(O)	116.7000	0.000	1	117.7740	1.329	3	117.7740	1.329	3	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(OC)(O)	118.3110	0.963	2	117.7740	1.329	3	117.7740	1.329	3	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:N-2:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(NC)(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(NC)(O)	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(OC)(O)	115.0620	0.000	1	115.0620	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(O)	118.9240	0.000	1	118.9240	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(O)	115.8610	0.000	1	115.8610	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6a])(OC[6])(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6a])(OC[6])(O)	115.9560	0.000	1	115.9560	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(OC)(O)	115.2820	0.744	2	115.2820	0.553	2	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(OC)(O)	118.2190	0.000	1	118.2190	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(O)	116.9855	1.031	4	116.9855	1.063	4	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(ON[5])(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(ON[5])(O)	118.1560	0.000	1	118.1560	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6a])(OC[6])(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6a])(OC[6])(O)	116.8499	1.174	9	116.8499	1.378	9	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(OC)(O)	117.2690	0.000	1	117.2690	0.000	1	116.8001	1.559	22	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:S-2:S-1:	O(C[6]C[6]2H)(CSS)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C(OC[6])(SC)(S)	O(C[6]C[6]2H)(CSS)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C(OC[6])(SC)(S)	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	S-2:O-2:O-1:	O(C[6]C[6]2H)(COS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(SC[6a])(OC[6])(O)	O(C[6]C[6]2H)(COS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(SC[6a])(OC[6])(O)	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	117.0447	1.926	32	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:2:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:N-2:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OPt)(NC)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OPt)(NC)	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C(OC[6])(CCC)(O)	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[5,6,6]C[6]H)(CNO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(NCH)(O)	O(C[6]C[5,6,6]C[6]H)(CNO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(OC[6])(NCH)(O)	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(OC[6])(CCC)(O)	117.2940	0.000	1	117.2940	0.000	1	118.7028	0.770	6	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(OC[6])(CCC)(O)	119.1540	0.000	1	119.1540	0.000	1	118.7028	0.770	6	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C(OC[6])(CHH)(O)	119.3330	0.000	1	119.3330	0.000	1	118.7028	0.770	6	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C(OC[6])(CCC)(O)	119.2495	0.286	2	119.2495	0.082	2	118.7028	0.770	6	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C(OC[6])(CCH)(O)	117.9370	0.000	1	117.9370	0.000	1	118.7028	0.770	6	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(OC[6])(CCH)(O)	116.3850	0.000	1	116.3850	0.000	1	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CCC)(O)	117.9425	1.411	2	117.9425	1.990	2	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CCH)(O)	117.9530	0.000	1	116.3165	5.356	2	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CCH)(O)	114.6800	0.000	1	116.3165	5.356	2	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CCH)(O)	115.9980	1.043	5	115.9980	1.089	5	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[6])(CCC)(O)	118.9110	0.000	1	119.4745	0.635	2	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CCC)(O)	120.0380	0.000	1	119.4745	0.635	2	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(OC[6])(CCC)(O)	118.1520	0.000	1	118.1520	0.000	1	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(OC[6])(CCH)(O)	119.2530	0.000	1	119.2530	0.000	1	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CCH)(O)	117.5180	0.000	1	117.5180	0.000	1	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CCH)(O)	116.7540	0.000	1	116.7540	0.000	1	117.2199	2.577	16	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C(OC[6])(NCC)(O)	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C(OC[6])(NCC)(O)	115.3860	0.000	1	115.3860	0.000	1	116.4345	2.199	2	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C(OC[6])(NCC)(O)	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C(OC[6])(NCC)(O)	117.4830	0.000	1	117.4830	0.000	1	116.4345	2.199	2	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:Cl-1:	O(C[6]C[6]2H)(CClC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CClC)(Cl)	O(C[6]C[6]2H)(CClC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CClC)(Cl)	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:H-1:	O(C[6]C[6]2H)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHH)(H)	O(C[6]C[6]2H)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CHH)(H)	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(CCC)(O)	116.7990	0.000	1	116.7990	0.000	1	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCH)(O)	118.4460	0.623	3	118.4460	0.388	3	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CHH)(O)	116.1360	0.000	1	116.1360	0.000	1	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCC)(O)	116.6385	0.832	2	116.6385	0.693	2	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CCC)(O)	117.9340	0.000	1	117.4745	0.422	2	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C(OC[6])(CCC)(O)	117.0150	0.000	1	117.4745	0.422	2	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C(OC[6])(CCH)(O)	116.0930	0.000	1	116.7840	0.455	4	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CCH)(O)	117.0143	0.604	3	116.7840	0.455	4	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(COO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(COO)(O)	116.3358	1.286	4	116.3358	1.654	4	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCS)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCS)(O)	117.0490	0.000	1	117.0490	0.000	1	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(OC[6])(CHO)(O)	118.2600	1.847	2	118.2600	3.411	2	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CHH)(O)	118.4480	0.000	1	118.4480	0.000	1	117.1902	1.293	21	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(NCH)(O)	117.3385	0.935	6	117.3385	0.875	6	117.0002	0.982	12	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	C(OC[6])(NCC)(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(NCC)(O)	115.5845	0.097	2	115.5845	0.009	2	117.0002	0.982	12	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(NCH)(O)	116.8390	0.346	2	116.8390	0.120	2	117.0002	0.982	12	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:3:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(NCH)(O)	117.5620	0.957	2	117.5620	0.917	2	117.0002	0.982	12	117.2486	1.695	61	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3,6]C[6,6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[3,6]C[6,6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CCHH)(O)	117.2840	0.376	2	117.2840	0.142	2	117.2840	0.142	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(CCCH)(O)	116.9950	0.000	1	116.9950	0.000	1	117.0055	0.719	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.2420	0.000	1	116.2420	0.000	1	117.0055	0.719	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.5940	0.000	1	116.5940	0.000	1	117.0055	0.719	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.1910	0.000	1	118.1910	0.000	1	117.0055	0.719	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	116.3420	0.000	1	116.4495	0.023	2	116.4495	0.023	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	116.5570	0.000	1	116.4495	0.023	2	116.4495	0.023	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	115.9865	0.759	2	116.7233	1.239	4	116.7233	1.239	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4600	0.986	2	116.7233	1.239	4	116.7233	1.239	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(OC[6])(CH3)(O)	115.0370	0.000	1	117.0353	3.261	3	116.9270	2.221	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C(OC[6])(CH3)(O)	118.0345	0.729	2	117.0353	3.261	3	116.9270	2.221	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	116.6020	0.000	1	116.6020	0.000	1	116.9270	2.221	4	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,5,6,6]C[6]H)(CCO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	116.0225	0.992	2	116.0225	0.984	2	116.0225	0.984	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	117.0600	0.000	1	117.0600	0.000	1	117.2823	0.812	3	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	118.2740	0.000	1	118.2740	0.000	1	117.2823	0.812	3	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	116.5130	0.000	1	116.5130	0.000	1	117.2823	0.812	3	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.5480	0.000	1	118.5480	0.000	1	118.5555	0.000	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.5630	0.000	1	118.5630	0.000	1	118.5555	0.000	2	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	118.1240	0.000	1	117.7210	0.325	2	117.8460	1.544	5	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.3180	0.000	1	117.7210	0.325	2	117.8460	1.544	5	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C(OC[6])(CCCH)(O)	116.0520	0.000	1	116.0520	0.000	1	117.8460	1.544	5	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	118.3620	0.000	1	118.3620	0.000	1	117.8460	1.544	5	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	119.3740	0.000	1	119.3740	0.000	1	117.8460	1.544	5	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	118.4935	2.566	2	118.4935	6.585	2	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C(OC[6])(CH3)(O)	117.7240	0.000	1	117.7240	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C(OC[6])(CH3)(O)	116.2245	1.142	2	116.2245	1.304	2	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.3020	0.000	1	117.3020	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.7900	0.000	1	117.7900	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C(OC[6])(CH3)(O)	117.0940	0.693	3	117.0940	0.480	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	118.0890	0.000	1	118.0890	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C(OC[6])(CH3)(O)	117.7815	0.073	2	117.6963	0.024	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C(OC[6])(CH3)(O)	117.5260	0.000	1	117.6963	0.024	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	116.3790	0.000	1	116.3790	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	117.4720	0.000	1	117.4720	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	117.6445	0.794	2	117.6445	0.631	2	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	120.0395	0.009	2	120.0395	0.000	2	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	118.3530	0.000	1	118.3530	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.5275	1.341	2	117.1690	2.134	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	118.4520	0.000	1	117.1690	2.134	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.2710	0.000	1	117.6733	1.608	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	117.3745	1.637	2	117.6733	1.608	3	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C(OC[6])(CH3)(O)	117.4530	0.570	8	117.4530	0.325	8	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.6670	0.000	1	117.9200	1.699	5	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C(OC[6])(CH3)(O)	118.2332	1.269	4	117.9200	1.699	5	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.3010	0.000	1	118.3010	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4458	1.075	4	117.4458	1.156	4	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	119.1900	0.000	1	119.1900	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	116.6590	0.000	1	116.6590	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.1900	0.000	1	117.1900	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(O)	117.1120	0.000	1	117.1120	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.6980	0.000	1	117.6980	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.3660	0.000	1	117.9490	0.977	5	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	117.5110	0.000	1	117.9490	0.977	5	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.9560	1.331	3	117.9490	0.977	5	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(CH3)(O)	117.6920	0.000	1	117.6920	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	116.7880	0.000	1	116.7880	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	117.2570	0.000	1	117.2570	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	118.4670	0.000	1	118.4670	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(OC[6])(CH3)(O)	116.4100	0.000	1	116.4100	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.6980	0.000	1	117.6980	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCO)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C(OC[6])(CCCO)(O)	117.8640	0.000	1	117.8640	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.9950	0.000	1	116.9950	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	115.8790	0.000	1	115.8790	0.000	1	117.6057	1.058	64	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C(OC[6])(CH3)(O)	118.6800	0.000	1	118.6800	0.000	1	118.6800	0.000	1	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.6140	0.303	2	118.6140	0.092	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	119.4500	0.000	1	119.4500	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	117.7940	0.000	1	117.7940	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	119.5270	0.000	1	119.5270	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.2715	1.005	2	118.2715	1.010	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	C(OC[6])(CH3)(O)	117.2850	0.000	1	117.2850	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(OC[6])(CCCH)(O)	126.7330	0.000	1	126.7330	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.0740	1.223	3	118.0740	1.496	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C(OC[6])(CH3)(O)	117.3447	0.658	3	117.3447	0.433	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	118.4630	0.000	1	118.4630	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(OC[6])(CH3)(O)	117.3028	0.950	4	117.8029	0.698	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C(OC[6])(CH3)(O)	118.3030	0.244	4	117.8029	0.698	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	120.8980	0.000	1	120.8980	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	117.9782	1.198	5	117.9782	1.436	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	117.2340	0.105	2	117.1493	0.027	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	116.9800	0.000	1	117.1493	0.027	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.8890	0.951	3	117.8890	0.905	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	118.0290	0.000	1	117.2490	1.217	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	116.4690	0.000	1	117.2490	1.217	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	119.2750	0.195	2	119.2750	0.038	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	118.1690	0.000	1	118.4253	0.190	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	118.5535	0.530	2	118.4253	0.190	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	C(OC[6])(CH3)(O)	117.4600	0.000	1	117.4600	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	118.7450	0.000	1	118.8643	0.518	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.9240	1.007	2	118.8643	0.518	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C(OC[6])(CH3)(O)	117.3220	0.000	1	117.3220	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C(OC[6])(CH3)(O)	117.8100	0.000	1	117.8100	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	116.9320	1.259	4	116.9812	1.201	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	117.1780	0.000	1	116.9812	1.201	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C(OC[6])(CH3)(O)	117.3360	0.000	1	118.1945	1.474	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C(OC[6])(CH3)(O)	119.0530	0.000	1	118.1945	1.474	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	116.9760	0.000	1	116.9760	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	117.4390	0.000	1	117.4390	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(CCCH)(O)	118.7865	0.353	2	118.7865	0.125	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C(OC[6])(CH3)(O)	118.3660	0.000	1	118.3660	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	121.5200	0.000	1	118.6653	6.463	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.2380	0.839	2	118.6653	6.463	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	119.4250	0.000	1	117.7485	2.899	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.7565	0.494	2	117.7485	2.899	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	115.6280	0.000	1	117.7485	2.899	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.3555	1.834	4	117.7485	2.899	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	119.2800	0.000	1	118.7205	0.626	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.1610	0.000	1	118.7205	0.626	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	C(OC[6])(CH3)(O)	117.2267	0.044	3	117.2267	0.002	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	116.6810	0.000	1	116.6810	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.2030	0.000	1	117.7896	0.189	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	C(OC[6])(CH3)(O)	117.6863	0.425	4	117.7896	0.189	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	118.3270	0.071	2	117.3470	1.613	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	118.1490	0.000	1	117.3470	1.613	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	C(OC[6])(CH3)(O)	118.8680	0.000	1	117.3470	1.613	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C(OC[6])(CH3)(O)	116.2717	0.955	3	117.3470	1.613	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	116.2900	0.000	1	117.3470	1.613	8	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	119.4430	0.000	1	119.1035	0.231	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.7640	0.000	1	119.1035	0.231	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(OC[6])(CH3)(O)	118.2160	0.000	1	118.2160	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CC3)(O)	117.8084	0.780	5	117.8084	0.608	5	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.4840	0.000	1	118.0665	2.039	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	119.5070	0.000	1	118.0665	2.039	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	116.3460	0.000	1	118.0665	2.039	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(CH3)(O)	118.9290	0.000	1	118.0665	2.039	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	118.6390	0.901	2	118.7615	0.338	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.8840	0.379	2	118.7615	0.338	4	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	118.7555	0.538	2	118.7555	0.290	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C(OC[6])(CH3)(O)	118.4117	1.153	3	118.4117	1.329	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.2490	0.000	1	118.2490	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.3270	0.000	1	117.0370	0.063	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(OC[6])(CH3)(O)	116.8920	0.007	2	117.0370	0.063	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	118.1130	0.000	1	118.1130	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	C(OC[6])(CH3)(O)	117.1200	0.088	2	117.1200	0.008	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.8070	0.000	1	117.8955	1.662	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.9840	0.000	1	117.8955	1.662	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	118.4170	0.000	1	118.7661	0.445	7	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	119.3350	0.000	1	118.7661	0.445	7	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	119.1560	0.000	1	118.7661	0.445	7	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	119.0400	0.000	1	118.7661	0.445	7	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	118.4717	0.932	3	118.7661	0.445	7	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(OC[6])(CH3)(O)	116.3960	0.000	1	116.3960	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	119.0780	0.000	1	119.0780	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.1067	0.610	3	117.1067	0.372	3	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.1780	0.000	1	117.1780	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.5550	0.000	1	117.5550	0.000	1	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C(OC[6])(CH3)(O)	117.7870	0.117	2	117.7870	0.014	2	118.0275	1.714	137	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.1920	0.000	1	117.1920	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.3580	0.000	1	117.3418	0.244	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.3363	0.605	3	117.3418	0.244	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.4790	0.000	1	117.4790	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[6])(CH3)(O)	118.8570	1.052	2	118.8570	1.107	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.6550	0.000	1	118.6550	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.1490	0.943	2	116.1490	0.890	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	117.0735	0.788	2	117.0735	0.622	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	115.4128	1.030	4	115.4128	1.061	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.9760	0.000	1	117.9760	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.7510	0.000	1	116.7510	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	C(OC[6])(CH3)(O)	116.5040	0.000	1	116.5040	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.4300	0.000	1	118.4300	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	117.9120	0.981	2	117.9120	0.963	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.2300	0.000	1	118.2300	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.5670	0.000	1	117.5670	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.3810	0.000	1	117.4987	1.369	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	118.7230	0.000	1	117.4987	1.369	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.3920	0.000	1	117.4987	1.369	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.7730	0.000	1	116.7730	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	C(OC[6])(CH3)(O)	117.9800	0.000	1	117.9800	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	117.6710	0.000	1	118.0795	0.949	8	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.5600	0.344	2	118.0795	0.949	8	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4210	0.000	1	118.0795	0.949	8	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.6060	1.194	4	118.0795	0.949	8	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	117.0690	0.000	1	117.5447	0.288	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	118.1270	0.000	1	117.5447	0.288	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.4380	0.000	1	117.5447	0.288	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(CH3)(O)	117.0810	0.544	2	117.0810	0.296	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.3510	0.000	1	116.3510	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(O)	118.5470	0.000	1	118.5470	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C(OC[6])(CC3)(O)	117.0030	0.000	1	117.0030	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.1780	0.000	1	117.1780	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHH)(O)	118.1915	0.545	4	118.1915	0.297	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	120.0760	0.000	1	118.0260	1.033	43	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	116.4330	0.000	1	118.0260	1.033	43	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.0149	0.957	41	118.0260	1.033	43	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.0920	0.575	12	118.1773	0.525	14	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.6890	1.602	2	118.1773	0.525	14	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	118.5470	0.000	1	118.3820	0.939	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.2480	0.000	1	118.3820	0.939	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.5310	1.396	2	118.3820	0.939	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	119.0530	0.000	1	118.3820	0.939	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	116.9180	0.000	1	116.9180	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(CH3)(O)	116.6710	0.000	1	116.6710	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.9940	0.000	1	117.9940	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CCCO)(O)	115.7110	0.000	1	115.7110	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CCHH)(O)	118.3130	1.310	3	118.3130	1.717	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHN)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CCHN)(O)	116.5460	0.000	2	116.5460	0.000	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHO)(O)	117.1863	1.141	3	117.1863	1.302	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	119.7050	0.000	1	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4537	1.011	26	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	116.8095	0.686	4	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.6910	0.000	1	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.8197	0.852	3	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.4800	0.000	1	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.2203	0.995	10	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.6628	0.911	30	117.6771	0.993	76	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHHN)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CHHN)(O)	117.8937	0.446	3	117.8937	0.199	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CHHO)(O)	117.9963	2.014	3	117.9963	4.056	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	117.8372	0.676	12	117.3316	0.681	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.9440	0.000	1	117.3316	0.681	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.7917	0.604	7	117.3316	0.681	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	C(OC[6])(CH3)(O)	116.3815	0.152	2	117.3316	0.681	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(O)	116.5950	0.000	1	116.5950	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	118.2025	0.281	2	118.2025	0.079	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.6060	0.000	1	118.3265	0.156	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(OC[6])(CH3)(O)	118.0470	0.000	1	118.3265	0.156	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCCH)(O)	118.2760	0.000	1	118.2760	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	116.5460	0.000	1	116.5460	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C(OC[6])(CCCH)(O)	119.0920	0.000	1	119.0920	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	116.8990	0.000	1	117.7389	1.486	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C(OC[6])(CH3)(O)	117.3907	1.470	4	117.7389	1.486	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	C(OC[6])(CH3)(O)	118.4037	1.162	3	117.7389	1.486	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.8580	1.284	2	117.7389	1.486	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	118.1530	0.000	1	118.2718	0.655	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.0583	0.973	3	118.2718	0.655	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C(OC[6])(CH3)(O)	119.0310	0.000	1	118.2718	0.655	5	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	118.0590	0.315	2	118.0590	0.099	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.4225	1.117	2	118.4225	1.247	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.5870	0.000	1	118.5870	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(O)	115.4350	0.000	1	115.4350	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.1590	0.000	1	117.1590	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(OC[6])(CH3)(O)	116.1360	0.000	1	116.1360	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(OC[6])(CH3)(O)	115.8520	0.000	1	115.8520	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.6950	0.000	1	118.1040	0.699	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.5130	0.000	1	118.1040	0.699	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CBCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CBCH)(O)	117.1640	0.716	2	117.1640	0.512	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C(OC[6])(CCCH)(O)	116.2090	0.000	1	116.6630	0.412	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCCH)(O)	117.1170	0.000	1	116.6630	0.412	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(O)	116.9330	0.000	1	118.2820	2.796	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHH)(O)	118.9565	1.692	2	118.2820	2.796	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHN)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHN)(O)	119.5800	0.851	2	119.5800	0.725	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C(OC[6])(CCHO)(O)	116.1680	0.561	2	116.1680	0.315	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.1510	0.000	1	117.8685	0.230	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	118.3980	0.000	1	117.8685	0.230	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.4570	0.000	1	117.8685	0.230	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4680	0.000	1	117.8685	0.230	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.4290	0.000	1	118.4290	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.4060	0.000	1	117.4060	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.1560	0.000	1	117.1560	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	115.5755	1.181	4	116.9862	2.280	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.9147	0.547	3	116.9862	2.280	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.9387	1.111	3	116.9862	2.280	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	C(OC[6])(CH3)(O)	118.5985	0.045	2	118.5985	0.002	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.3140	1.270	2	116.3140	1.613	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C(OC[6])(CCHH)(O)	118.8090	0.000	1	118.8090	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(O)	117.4220	0.000	1	117.4220	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CC3)(O)	117.8910	0.000	1	117.8910	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(CCHH)(O)	117.8350	0.000	1	117.8350	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCl3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[6])(CCl3)(O)	117.1890	0.136	2	117.1890	0.018	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	116.6575	0.136	2	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.2370	0.000	1	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[6])(CH3)(O)	117.5220	0.000	1	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	118.9525	0.848	4	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(CH3)(O)	117.7340	0.000	1	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.4060	0.000	1	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	117.3790	0.000	1	117.7639	1.294	11	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	C(OC[6])(CH3)(O)	115.6700	0.000	1	117.3693	2.381	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	118.2190	0.656	2	117.3693	2.381	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(CC3)(O)	117.4910	0.000	1	117.4910	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CCHH)(O)	117.3990	0.000	1	118.9233	2.013	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(O)	119.6855	0.735	2	118.9233	2.013	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[6])(CCHH)(O)	117.4510	0.000	1	117.4510	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.4900	0.000	1	117.3475	1.043	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	C(OC[6])(CH3)(O)	116.4360	0.000	1	117.3475	1.043	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C(OC[6])(CH3)(O)	117.2320	0.983	2	117.3475	1.043	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	115.6520	0.000	1	115.6520	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CHHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CHHO)(O)	117.2344	0.863	10	117.2344	0.744	10	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(OC[6])(CC3)(O)	119.4995	1.746	2	119.4995	3.048	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(OC[6])(CCCH)(O)	117.1075	0.947	2	117.1075	0.896	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CCl3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCl3)(O)	116.1980	0.000	1	116.1980	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	118.0197	0.946	7	117.9913	0.699	9	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	117.5830	0.000	1	117.9913	0.699	9	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	118.2010	0.000	1	117.9913	0.699	9	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CHHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	C(OC[6])(CHHO)(O)	119.5770	0.000	1	119.5770	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CHHS)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CHHS)(O)	116.9140	0.000	1	116.9140	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.9820	0.000	1	116.9820	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	116.2130	0.000	1	116.2130	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[6])(CH3)(O)	115.8340	0.000	1	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C(OC[6])(CH3)(O)	117.8330	0.000	1	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.2320	0.243	2	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.1660	0.000	1	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.4459	1.124	16	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	121.2430	0.000	1	117.5761	1.734	22	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.1815	0.151	2	117.1815	0.023	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.3370	0.000	1	118.3370	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[6])(CH3)(O)	117.2080	0.000	1	116.9310	0.153	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.6540	0.000	1	116.9310	0.153	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.9780	0.000	1	118.9780	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	119.3950	0.000	1	117.1400	3.907	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.0125	0.432	2	117.1400	3.907	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	115.8050	0.000	1	116.2780	0.447	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(OC[6])(CH3)(O)	116.7510	0.000	1	116.2780	0.447	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CC3)(O)	117.8160	0.317	3	117.8160	0.100	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CCHH)(O)	116.5378	0.840	4	116.5378	0.706	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C(OC[6])(CH3)(O)	116.8440	0.000	1	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C(OC[6])(CH3)(O)	118.2220	0.000	1	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C(OC[6])(CH3)(O)	117.0560	0.243	2	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C(OC[6])(CH3)(O)	117.5060	0.000	1	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(OC[6])(CH3)(O)	117.5900	0.541	6	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	117.9114	0.746	11	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C(OC[6])(CH3)(O)	117.2295	0.438	2	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.8562	1.020	138	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C(OC[6])(CH3)(O)	118.9800	0.000	1	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	117.5293	0.051	4	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(OC[6])(CH3)(O)	117.1770	0.000	1	117.8223	0.931	168	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.0565	1.135	2	117.0565	1.288	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.6740	0.000	1	118.6740	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.3152	1.177	4	117.3152	1.386	4	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CC3)(O)	117.0780	0.710	3	117.0780	0.505	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(CH3)(O)	117.9320	0.000	1	117.5664	1.649	14	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.4434	1.345	12	117.5664	1.649	14	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	C(OC[6])(CH3)(O)	118.6760	0.000	1	117.5664	1.649	14	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CC3)(O)	117.6700	0.000	2	117.6700	0.000	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CC3)(O)	118.6890	0.000	1	118.6890	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.9453	0.814	30	117.9453	0.662	30	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CC3)(O)	117.2200	0.000	1	117.2200	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.5201	1.142	63	117.5752	1.264	70	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.6365	0.340	4	117.5752	1.264	70	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(O)	117.3160	0.770	3	117.5752	1.264	70	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.3235	0.757	24	117.3235	0.573	24	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	C(OC[6])(CC3)(O)	118.3780	0.000	2	117.9810	0.612	6	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6])(CC3)(O)	116.6760	0.000	1	117.9810	0.612	6	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CC3)(O)	118.3470	0.000	1	117.9810	0.612	6	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C(OC[6])(CC3)(O)	118.0535	0.947	2	117.9810	0.612	6	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	116.3780	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.7165	0.445	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.4975	0.466	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	117.8470	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.6898	1.213	4	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C(OC[6])(CH3)(O)	118.3300	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.4340	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.1673	1.140	12	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.0436	1.193	27	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[6])(CH3)(O)	117.4450	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[6])(CH3)(O)	116.9970	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.9218	1.103	22	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(OC[6])(CH3)(O)	118.4535	0.045	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.2015	0.332	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.5947	1.226	69	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	C(OC[6])(CH3)(O)	118.7770	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(CH3)(O)	117.9350	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	118.3265	1.129	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	117.6910	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.1575	1.174	6	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.1710	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(O)	117.9913	1.545	6	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	C(OC[6])(CH3)(O)	116.4680	0.000	1	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(O)	117.4650	0.765	2	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C(OC[6])(CH3)(O)	118.8830	1.260	3	117.7825	1.364	172	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.4525	0.945	2	118.4525	0.894	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	117.1850	0.371	2	117.1850	0.137	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CC3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CC3)(O)	118.5170	0.000	1	118.5170	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CCCH)(O)	119.5500	0.000	1	119.5500	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(OC[6])(CH3)(O)	115.4390	0.000	1	117.0167	1.876	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(O)	117.8055	0.136	2	117.0167	1.876	3	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CCCO)(O)	117.4325	0.142	2	117.4325	0.020	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CCHO)(O)	117.8300	0.000	1	117.8300	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C(OC[6])(CCHH)(O)	115.7090	0.000	1	115.7090	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CH3)(O)	118.5340	1.687	2	118.5340	2.846	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(CH3)(O)	117.7764	0.680	9	117.7764	0.462	9	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[6])(CH3)(O)	117.5874	0.416	5	117.3523	0.295	7	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(CH3)(O)	116.7645	0.329	2	117.3523	0.295	7	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(CH3)(O)	118.8940	0.000	1	118.8940	0.000	1	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.0115	0.794	2	118.0115	0.631	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	116.7430	0.198	2	116.7430	0.039	2	117.6967	1.142	927	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:1:	C[6]-4:C-3:	C[6]-4:P[6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[6]C[6]P[6]H)(CCO)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	C(OC[6])(CH3)(O)	O(C[6]C[6]P[6]H)(CCO)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(O)	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	117.7171	1.225	1159	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	2:4:2:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-2:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(OSn)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHH)(OSn)	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.1080	0.000	1	119.1080	0.000	1	118.3655	1.103	2	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6230	0.000	1	117.6230	0.000	1	118.3655	1.103	2	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	N[5a]-3:O-2:S-1:	O(C[6]C[3,6]C[6]H)(CN[5a]S)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C(N[5a]C[5a]2)(OC[6])(S)	O(C[6]C[3,6]C[6]H)(CN[5a]S)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(N[5a]C[5a]2)(OC[6])(S)	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.2660	3.166	2	118.2660	10.026	2	117.7212	2.942	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8760	0.000	1	116.8760	0.000	1	117.7212	2.942	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5990	0.636	2	117.5990	0.405	2	117.7212	2.942	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.9275	1.090	2	116.6620	0.380	5	116.6620	0.380	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.4850	0.223	3	116.6620	0.380	5	116.6620	0.380	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1010	0.000	1	117.1010	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.0730	0.000	1	118.0730	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9760	0.000	1	117.9760	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.7220	0.000	1	116.7220	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.8650	0.000	1	118.8650	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	119.1445	0.566	2	119.1445	0.321	2	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.5280	0.000	1	115.5280	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.3870	0.000	1	116.3870	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.0100	0.000	1	117.0100	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5020	1.950	6	116.5020	3.803	6	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3740	0.000	1	117.3740	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.1800	0.000	1	118.1800	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	117.0987	1.069	3	117.0987	1.143	3	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.8836	0.747	8	117.8836	0.558	8	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.1470	0.000	1	115.1470	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.1650	0.000	1	118.1650	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	119.0170	0.000	1	119.0170	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	115.1060	0.000	1	115.1060	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.4720	0.000	1	118.4720	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5010	0.000	1	116.5010	0.000	1	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8600	1.151	2	116.8600	1.325	2	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5495	0.196	2	116.5495	0.038	2	117.2848	1.730	39	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(NC[6a]H)(OC[6])(O)	116.8660	0.000	1	116.8660	0.000	1	117.5058	2.983	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(NC[6a]H)(OC[6])(O)	115.3650	0.000	1	115.3650	0.000	1	117.5058	2.983	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C(NC[6]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(OC[6])(O)	118.8960	0.300	2	118.8960	0.090	2	117.5058	2.983	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[5a]C[5a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[5a]C[5a]2)(OC[6])(O)	116.3485	0.336	2	116.3485	0.113	2	116.5340	0.160	3	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[5a]C[5a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[5a]C[5a]2)(OC[6])(O)	116.9050	0.000	1	116.9050	0.000	1	116.5340	0.160	3	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.6080	0.000	1	116.6080	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.3003	1.460	3	116.3003	2.131	3	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.3830	0.000	1	118.3830	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5370	0.000	1	116.5370	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.2980	0.000	1	116.2980	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.4090	0.000	1	118.4090	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.4440	0.000	1	115.9380	0.512	2	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.4320	0.000	1	115.9380	0.512	2	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.0735	1.423	2	118.0735	2.026	2	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.1960	0.014	2	117.0103	1.990	3	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.6390	0.000	1	117.0103	1.990	3	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.4710	0.000	1	118.4753	1.237	4	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.9630	0.000	1	118.4753	1.237	4	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.1200	0.000	1	118.4753	1.237	4	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.3470	0.000	1	118.4753	1.237	4	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.3200	0.000	1	119.3200	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.2560	0.402	2	116.2560	0.161	2	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.1760	0.000	1	116.1760	0.000	1	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.7107	0.124	3	118.7107	0.015	3	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6765	0.104	2	117.6765	0.011	2	117.4137	1.713	28	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-3:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]O)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]O)(OC[6])(O)	116.6850	0.000	1	116.6850	0.000	1	117.6840	1.996	2	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-3:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6]H)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[6]H)(OC[6])(O)	118.6830	0.000	1	118.6830	0.000	1	117.6840	1.996	2	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]N[5])(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]N[5])(OC[6])(O)	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(C[5a]C[5a,6]C[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(OC[6])(O)	117.6860	0.000	1	117.6860	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(C[5a]C[5a,6a]C[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(OC[6])(O)	117.3600	0.000	1	117.3600	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(OC[6])(O)	117.6450	0.000	1	117.6450	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(OC[6])(O)	118.7050	0.000	1	118.7050	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(OC[6])(O)	116.9100	0.000	1	116.9100	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5a]C[5a]N[5a])(OC[6])(O)	117.5830	0.000	1	117.5830	0.000	1	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[5a]C[5a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5a]C[5a]2)(OC[6])(O)	117.6015	1.125	2	117.6015	1.266	2	117.6365	0.431	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC[6])(O)	118.9190	0.411	4	118.9190	0.169	4	118.4188	1.378	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]O[6])(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(OC[6])(O)	116.4180	0.000	1	116.4180	0.000	1	118.4188	1.378	5	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5050	0.857	2	117.5050	0.734	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.4050	0.000	1	117.4050	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.2660	0.677	2	116.2660	0.459	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9790	0.000	1	118.8560	1.538	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.7330	0.000	1	118.8560	1.538	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.8630	0.000	1	115.8630	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	115.4550	1.147	2	115.4550	1.315	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.7560	0.000	1	116.7560	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	120.9770	0.000	1	120.9770	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.4620	0.344	2	116.4620	0.118	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.2190	0.000	1	116.2190	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.2619	1.014	14	118.2619	1.028	14	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9680	0.000	1	117.7615	0.085	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5550	0.000	1	117.7615	0.085	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	115.4080	0.000	1	115.4080	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	115.9260	0.000	1	115.9260	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8560	1.215	5	117.5065	2.878	15	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.7231	1.941	9	117.5065	2.878	15	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.8100	0.000	1	117.5065	2.878	15	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6260	0.000	1	117.2103	1.352	3	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.0025	1.563	2	117.2103	1.352	3	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6925	0.636	2	117.6925	0.404	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.3000	0.000	1	116.3000	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5560	0.000	1	117.5560	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9910	0.000	1	117.9910	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3638	1.066	12	117.3638	1.137	12	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.1033	1.087	7	118.1033	1.183	7	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6120	1.029	3	118.1711	1.272	7	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.3953	1.307	3	118.1711	1.272	7	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	119.1760	0.000	1	118.1711	1.272	7	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	117.7680	0.000	1	117.7680	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.8560	1.167	2	118.8560	1.361	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.9060	0.000	1	116.9060	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	120.3620	0.000	1	120.3620	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.5710	0.000	1	118.5710	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.2490	0.707	2	116.2490	0.500	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	116.1522	0.354	4	116.1522	0.125	4	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.2285	2.642	2	117.4183	1.825	9	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6232	1.319	5	117.4183	1.825	9	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3810	0.000	1	117.4183	1.825	9	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8110	0.000	1	117.4183	1.825	9	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[6])(O)	118.6280	0.000	1	118.6280	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.2240	0.000	1	119.2240	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.5735	1.429	2	116.5735	2.042	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]2)(OC[6])(O)	117.3875	0.221	2	117.3875	0.049	2	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.5567	0.627	4	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	118.6113	1.711	10	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9000	0.492	2	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1170	0.000	1	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|S<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.6170	0.000	1	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	120.4150	0.000	1	118.2784	2.089	19	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3680	0.000	1	117.3680	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	116.8460	0.000	1	116.8460	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.9366	1.754	9	118.1679	2.553	12	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	119.6310	0.000	1	118.1679	2.553	12	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	118.4775	0.814	2	118.1679	2.553	12	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[6])(O)	117.8800	0.000	1	117.4455	3.659	11	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.4284	2.131	9	117.4455	3.659	11	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1650	0.000	1	117.4455	3.659	11	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.3540	0.000	1	117.3540	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.1900	0.873	2	117.6776	1.074	25	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.7695	1.053	22	117.6776	1.074	25	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	116.6320	0.000	1	117.6776	1.074	25	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	117.4850	0.000	1	117.4850	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	119.0770	0.000	1	119.0770	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]HH)2(OC)(H){1|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	115.1440	0.000	1	115.1440	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(O)	117.0290	0.000	1	117.0290	0.000	1	117.6666	1.889	183	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C(NC[6a]H)(OC[6])(O)	117.5100	0.000	1	117.6813	0.268	3	117.1909	0.358	10	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(NC[6a]H)(OC[6])(O)	117.7670	0.701	2	117.6813	0.268	3	117.1909	0.358	10	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(NC[6a]H)(OC[6])(O)	117.2970	0.379	4	116.9807	0.276	7	117.1909	0.358	10	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(OC[6])(O)	116.5590	0.380	3	116.9807	0.276	7	117.1909	0.358	10	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[5]C[5,6]C[5])(OC[6])(O)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(OC[6])(O)	117.9995	2.246	2	117.9995	5.047	2	116.6668	4.173	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[5]C[5]2)(OC[6])(O)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(N[5]C[5]2)(OC[6])(O)	115.7630	0.000	1	115.3340	0.368	2	116.6668	4.173	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[5]C[5]2)(OC[6])(O)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[5]C[5]2)(OC[6])(O)	114.9050	0.000	1	115.3340	0.368	2	116.6668	4.173	4	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[6]C[6,6a]C[6])(OC[6])(O)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC[6])(O)	117.0730	0.000	1	117.0730	0.000	1	116.8314	1.156	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[6]C[6]2)(OC[6])(O)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC[6])(O)	116.9885	0.002	2	116.7392	1.577	6	116.8314	1.156	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[6]C[6]2)(OC[6])(O)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[6]C[6]2)(OC[6])(O)	116.6145	1.602	4	116.7392	1.577	6	116.8314	1.156	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(N[6]C[6]2)(OC[6])(O)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(OC[6])(O)	117.1430	0.000	1	117.1430	0.000	1	116.8314	1.156	8	117.5261	1.772	311	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(CCH)	117.6790	0.000	1	117.6790	0.000	1	118.2037	0.658	3	118.2037	0.658	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	3:2:3:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(CCH)	118.4660	0.950	2	118.4660	0.903	2	118.2037	0.658	3	118.2037	0.658	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[3,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C(CC[3]CH)(OC[6])(O)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	C(CC[3]CH)(OC[6])(O)	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C(CC[6]HH)(OC[6])(O)	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C(CC[6]HH)(OC[6])(O)	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(CC[6]HH)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C(CC[6]HH)(OC[6])(O)	119.9280	0.475	2	119.9280	0.226	2	119.7740	4.120	5	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(CN[5]HH)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(CN[5]HH)(OC[6])(O)	118.4940	2.803	2	118.4940	7.857	2	119.7740	4.120	5	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C(CC[6]HH)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C(CC[6]HH)(OC[6])(O)	122.0260	0.000	1	122.0260	0.000	1	119.7740	4.120	5	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	117.3055	0.128	2	117.3055	0.016	2	117.3055	0.016	2	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(CClHH)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(CClHH)(OC[6])(O)	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4]-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[4]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[4]C[4,6,6]C[4]C)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[4]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C(C[4]C[4,6,6]C[4]C)(OC[6])(O)	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC[6])(O)	131.4360	0.000	1	131.4360	0.000	1	131.4360	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6,6]C[6]H)(CC[5]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]N[5]H)(OC[6])(O)	O(C[6]C[6,6]C[6]H)(CC[5]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C(C[5]C[5]N[5]H)(OC[6])(O)	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(CC[6a]2O)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C(CC[6a]2O)(OC[6])(O)	118.1676	1.506	12	118.1676	2.267	12	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(CC[6a]CH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C(CC[6a]CH)(OC[6])(O)	116.3523	0.772	3	116.3523	0.595	3	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(CC[6a]CO)(OC[6])(O)	116.9070	0.000	1	116.9070	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]HH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6a]HH)(OC[6])(O)	116.2870	0.000	1	116.2870	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(CN[5]HH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CN[5]HH)(OC[6])(O)	116.9140	0.762	2	116.9140	0.581	2	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(CClHH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(CClHH)(OC[6])(O)	117.0340	0.000	1	117.0340	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[5]HH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[5]HH)(OC[6])(O)	117.9370	0.000	1	117.9370	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[5a]HO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[5a]HO)(OC[6])(O)	118.9325	0.272	2	118.9325	0.074	2	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]2C)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[6a]2C)(OC[6])(O)	117.2870	0.000	1	117.2870	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]CF)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[6a]CF)(OC[6])(O)	116.8380	0.000	1	116.8380	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]CN)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[6a]CN)(OC[6])(O)	116.7430	0.000	1	116.7430	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]CO)(OC[6])(O)	117.0880	0.000	1	117.0880	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]HN)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CC[6a]HN)(OC[6])(O)	118.0580	0.000	1	118.0580	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CClCF)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CClCF)(OC[6])(O)	117.9180	0.000	1	117.9180	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(CClHH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CClHH)(OC[6])(O)	116.4690	0.000	1	116.4690	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(CBrCH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(CBrCH)(OC[6])(O)	118.2280	0.000	1	118.2280	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(CC[6a]BrH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]BrH)(OC[6])(O)	117.6920	0.000	1	117.6920	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(CC[6a]HO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]HO)(OC[6])(O)	118.4060	0.324	3	118.4060	0.105	3	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(CClCH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(CClCH)(OC[6])(O)	118.4860	0.040	2	118.4860	0.002	2	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(CC[6a]CH)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	C(CC[6a]CH)(OC[6])(O)	116.8850	0.501	2	116.8850	0.251	2	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(CC[6a]2O)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	C(CC[6a]2O)(OC[6])(O)	118.2540	0.000	1	118.2540	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]CO)(OC[6])(O)	116.9815	0.126	4	116.9815	0.016	4	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	C(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(CC[6a]CO)(OC[6])(O)	115.1260	0.000	1	115.1260	0.000	1	117.5670	1.345	45	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:O-2:H-1:	O(C[6]C[6]2H)(CC[3]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[3]H[3]O[3]H)(OC[6])(H)	O(C[6]C[6]2H)(CC[3]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[3]H[3]O[3]H)(OC[6])(H)	116.8010	0.000	1	116.8010	0.000	1	116.8010	0.000	1	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(C[3]C[3]O[3]C)(OC[6])(O)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[3]C[3]O[3]C)(OC[6])(O)	118.2385	1.554	2	118.2385	2.413	2	118.3650	0.953	4	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[3]C[3]2P)(OC[6])(O)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[3]C[3]2P)(OC[6])(O)	118.9280	0.000	1	118.9280	0.000	1	118.3650	0.953	4	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[3]C[3]O[3]H)(OC[6])(O)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[3]C[3]O[3]H)(OC[6])(O)	118.0550	0.000	1	118.0550	0.000	1	118.3650	0.953	4	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	119.2170	0.000	1	119.2170	0.000	1	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	116.8250	0.000	1	116.8250	0.000	1	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	115.9670	0.000	1	115.9670	0.000	1	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	116.0535	1.344	2	116.8567	2.839	3	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	118.4630	0.000	1	116.8567	2.839	3	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	119.6000	0.000	1	119.6000	0.000	1	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	116.1830	0.000	1	116.1830	0.000	1	117.2952	2.640	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5,5]C[5,6a]C[5,5]C[5])(OC[6])(O)	O(C[6]C[6]2H)(CC[5,5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(OC[6])(O)	118.3490	0.000	2	118.3490	0.000	2	118.3490	0.000	2	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	116.0175	0.015	2	116.0175	0.000	2	116.0175	0.000	2	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]2H)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]2H)(OC[6])(O)	117.7827	0.955	3	117.7827	0.911	3	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]N[5]C)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(OC[6])(O)	117.9560	0.000	1	117.9560	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]O[5]H)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OC[6])(O)	118.3730	0.000	1	118.3730	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]P[5]Ru)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]P[5]Ru)(OC[6])(O)	117.8260	0.178	2	117.8260	0.032	2	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5a]C[5]N[5])(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]C[5a]C[5]N[5])(OC[6])(O)	117.7550	0.000	1	117.7550	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[5]O[5]S[5]H)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[5]O[5]S[5]H)(OC[6])(O)	117.8840	0.000	1	117.8840	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(C[5]C[5]2Fe)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2Fe)(OC[6])(O)	115.8600	0.000	1	115.8600	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[5]C[5]2Fe)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2Fe)(OC[6])(O)	115.6620	0.000	1	115.6620	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[5]C[5]2H)(OC[6])(O)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5]2H)(OC[6])(O)	117.5200	0.000	1	117.5200	0.000	1	117.5008	0.869	12	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2Cl)(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(OC[6])(O)	118.2880	0.000	1	118.2880	0.000	1	118.0585	1.383	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[6])(O)	117.1380	0.120	4	117.1380	0.014	4	118.0585	1.383	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6]C[6]2C)(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC[6])(O)	119.8045	0.306	2	119.2093	1.110	3	118.0585	1.383	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:1:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6]C[6]2C)(OC[6])(O)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(C[6]C[6]2C)(OC[6])(O)	118.0190	0.000	1	119.2093	1.110	3	118.0585	1.383	8	117.9039	4.043	96	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:2:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:O-2:O-2:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(OC[6])(CH3)(O)	127.0660	1.768	2	127.0660	3.125	2	127.0660	3.125	2	124.4377	22.287	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NN)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	C(OC[6])(CH3)(O)	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	124.4377	22.287	3	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]C[6]HH)2(NO)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	119.2780	0.000	1	119.2780	0.000	1	117.2758	2.179	4	117.2758	2.179	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:2:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-2:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]O[6]HH)2(NO)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	116.6083	0.772	3	116.6083	0.596	3	117.2758	2.179	4	117.2758	2.179	4	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:3:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NNO)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NNO)(OC){1|C<4>}	C(OC[6])(CH3)(O)	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:1:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:O-1:	O(C[6]C[6]2C)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(H)(O)	O(C[6]C[6]2C)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(OC[6])(H)(O)	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:O-2:O-1:	O(C[6]C[6]2C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(OC)(O)	O(C[6]C[6]2C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(OC)(O)	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C(OC[6])(CH3)(O)	122.2020	0.000	1	122.2020	0.000	1	122.1520	0.005	2	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	122.1020	0.000	1	122.1020	0.000	1	122.1520	0.005	2	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[6]C[5]C[6]2)(CCO)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[5]C[6]2)(CCO)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(OC[6])(CH3)(O)	127.1550	0.000	1	127.1550	0.000	1	127.1550	0.000	1	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	119.2440	0.000	1	120.4960	3.135	2	120.4960	3.135	2	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C(OC[6])(CH3)(O)	121.7480	0.000	1	120.4960	3.135	2	120.4960	3.135	2	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C(OC[6])(CH3)(O)	120.5440	0.000	1	120.5440	0.000	1	122.9728	6.783	5	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C(OC[6])(CH3)(O)	121.0650	0.000	1	121.0650	0.000	1	122.9728	6.783	5	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CCHH)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CCHH)(O)	127.1650	0.000	1	127.1650	0.000	1	122.9728	6.783	5	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(OC[6])(CH3)(O)	122.9760	0.000	1	122.9760	0.000	1	122.9728	6.783	5	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	2:4:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CF3)(OC)	C(OC[6])(CH3)(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C(OC[6])(CH3)(O)	123.1140	0.000	1	123.1140	0.000	1	122.9728	6.783	5	122.7315	6.755	10	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(O)	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:O-2:	N-3:O-2:O-1:	O(C[6]C[6,6]C[6]C)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6,6]C[6]C)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C(NC[6a]H)(OC[6])(O)	127.0390	0.000	1	127.0390	0.000	1	127.0390	0.000	1	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	123.4120	0.000	1	124.7420	3.538	2	123.5663	5.915	3	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(O)	126.0720	0.000	1	124.7420	3.538	2	123.5663	5.915	3	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CH3)(OC)	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CH3)(OC){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]2)(OC[6])(O)	121.2150	0.000	1	121.2150	0.000	1	123.5663	5.915	3	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	3:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[6]C[6]3)(CC[6a]O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC)	C(C[6a]C[6a]2)(OC[6])(O)	O(C[6]C[6]3)(CC[6a]O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC){3|C<4>,8|H<1>}	C(C[6a]C[6a]2)(OC[6])(O)	124.0245	0.033	2	124.0245	0.001	2	124.0245	0.001	2	123.9986	4.144	7	117.6331	2.104	1949	117.6748	2.398	2112
893	466	930	0:SP2_SP2_SP3	O	C[6]	C	4:3:	4:4:4:2:	4:2:1:	C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C-4:O-2:O-1:	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C(CC[6]CH)(OC[6])(O)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C(CC[6]CH)(OC[6])(O)	125.2150	0.000	1	125.2150	0.000	1	125.2150	0.000	1	125.2150	0.000	1	117.6331	2.104	1949	117.6748	2.398	2112