466	542	956	0:SP3_SP2_SP3	C[6]	N[5,6]	N	3:4:3:1:	3:3:4:	4:3:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	N(C[6]N[5,6]C[6]H)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	N(C[6]N[5,6]C[6]H)(COO)(H)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1
466	542	956	0:SP3_SP3_SP3	C[6]	N[5,6]	N	3:4:3:1:	4:4:3:	4:4:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O)	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	N(C[6]N[5,6]C[6]H)(CCHH)(H)	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1
466	542	983	0:SP3_SP1_SP3	C[6,6]	N[5]	C	4:4:3:2:	4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2	C(C[6,6]C[3x6]C[6,6]N[5])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2{1|C<4>,2|C<3>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]N[5])(N)	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4530	0.098	3
466	542	983	0:SP3_SP1_SP3	C[6]	N[5,6]	C	3:4:2:1:	4:3:4:	4:1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C(C[6]N[5,6]C[6]H)(N)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C(C[6]N[5,6]C[6]H)(N)	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.4715	0.194	2	109.4530	0.098	3
466	542	983	0:SP3_SP1_SP3	C[6]	N[5,6]	C	3:4:2:1:	4:4:4:	4:2:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C-2:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	C(C[6]N[5,6]C[6]H)(CC)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	C(C[6]N[5,6]C[6]H)(CC)	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.4715	0.194	2	109.4530	0.098	3
466	562	856	0:SP3_SP3_SP3	C[6]	Si[5]	N[6]	4:4:3:1:	4:3:3:1:	4:4:4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5]-3:N[5]-3:I-1:	C[6]-4:C[6]-4:C-4:	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I)	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I){3|C<4>,4|H<1>}	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1
466	562	893	0:SP3_SP3_SP3	C[6,6]	Si[5]	O	4:4:4:2:	4:4:3:3:	4:1:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[6,6]-4:H-1:	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2	O(C[6,6]C[3x6]2Si[5])(H)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2{4|H<1>,6|C<3>,8|C<4>}	O(C[6,6]C[3x6]2Si[5])(H)	100.0949	1.516	2	100.0949	2.299	2	100.0949	2.299	2	100.0949	2.299	2	100.0949	2.299	2	100.0949	2.299	2
466	562	951	0:SP3_SP-NON_SP3	C[6,6]	Si[5]	H	4:4:4:1:	4:3:3:2:	4:	C[3x6]-4:C[3x6]-4:Si[5]-4:H-1:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	H(C[6,6]C[3x6]2Si[5])	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H){2|C<4>,4|C<3>,8|H<1>}	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	H(C[6,6]C[3x6]2Si[5])	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	H(C[6]Si[5,6,6]C[6]H)	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	H(C[6]Si[5,6,6]C[6]H)	108.9831	0.047	7	108.9831	0.002	7	108.9831	0.002	7	108.9831	0.002	7	108.9831	0.002	7	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5,6]	H	4:4:1:1:	3:3:4:4:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|Si<4>,4|C<3>,6|H<1>}	H(C[6]Si[5,6]C[6]H)	108.9620	0.048	4	108.9620	0.002	4	108.9620	0.002	4	108.9620	0.002	4	109.2289	0.854	12	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5,6]	H	4:4:1:1:	3:4:2:2:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6]-4:	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[6]Si[5,6]C[6]H)	108.9802	0.148	4	108.9802	0.022	4	108.9802	0.022	4	108.9802	0.022	4	109.2289	0.854	12	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5,6]	H	4:4:1:1:	3:4:3:4:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]Si[5,6]C[6]H)	111.0980	0.553	2	111.0980	0.306	2	111.0980	0.306	2	111.0980	0.306	2	109.2289	0.854	12	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5,6]	H	4:4:1:1:	4:4:3:4:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[6]Si[5,6]C[6]H)	108.3910	0.303	2	108.3910	0.092	2	108.3910	0.092	2	108.3910	0.092	2	109.2289	0.854	12	108.8385	1.402	21
466	562	951	0:SP3_SP-NON_SP3	C[6]	Si[5]	H	4:4:3:1:	4:3:3:1:	4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5]-3:N[5]-3:I-1:	C[6]-4:	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I)	H(C[6]Si[5]C[6]N[6])	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I){3|C<4>,4|H<1>}	H(C[6]Si[5]C[6]N[6])	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	108.8385	1.402	21
466	610	622	0:SP3_SP2_SP3	C[6]	B	O[6]	4:2:4:1:	4:3:3:3:	3:4:	P[6]-4:O[6]-2:B-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	B[6]-3:C[6]-4:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	O[6](B[6]C[6a]C[6])(C[6]P[6]BH)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	O[6](B[6]C[6a]C[6])(C[6]P[6]BH){1|C<4>,3|C<3>,3|H<1>}	107.1580	0.235	2	107.1580	0.055	2	107.1580	0.055	2	107.1580	0.055	2	107.1580	0.055	2	107.1580	0.055	2
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	3:3:3:4:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:F-1:	C[6](C[6]C[6]F)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	122.8370	5.083	2	122.8370	25.834	2	122.8370	25.834	2	117.4998	50.906	4	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	3:3:3:4:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	114.7060	0.000	1	114.7060	0.000	1	112.1625	12.939	2	117.4998	50.906	4	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	3:3:3:4:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	109.6190	0.000	1	109.6190	0.000	1	112.1625	12.939	2	117.4998	50.906	4	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	110.8265	0.298	2	110.8265	0.089	2	110.8265	0.089	2	110.8265	0.089	2	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,2|H<1>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	111.0910	2.600	3	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:3:4:1:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	110.5215	1.804	2	110.5215	3.254	2	110.5215	3.254	2	111.0910	2.600	3	113.6182	28.733	10	113.6182	28.733	10
466	610	762	0:SP3_SP2_SP3	C[6]	B	C[6]	3:4:4:1:	3:3:4:3:	4:4:3:	C[6]-3:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2){3|C<4>,8|H<1>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	113.6182	28.733	10	113.6182	28.733	10
466	610	818	0:SP3_SP2_SP3	C[6]	B	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1
466	610	849	0:SP3_SP3_SP3	C[6]	B	P[6]	4:2:4:1:	4:3:3:3:	3:4:4:1:	P[6]-4:O[6]-2:B-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	114.7170	0.537	2	114.7170	0.289	2	114.7170	0.289	2	114.7170	0.289	2	114.7170	0.289	2	114.7170	0.289	2
466	610	856	0:SP3_SP2_SP3	C[6]	B	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	113.2850	3.137	2	113.2850	9.839	2	113.2850	9.839	2	114.4928	5.321	4	114.4850	3.200	6	114.4850	3.200	6
466	610	856	0:SP3_SP2_SP3	C[6]	B	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BHHS)(H)	B(C[6]N[6]2H)(SCC)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(SCC)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	115.7005	0.537	2	115.7005	0.288	2	115.7005	0.288	2	114.4928	5.321	4	114.4850	3.200	6	114.4850	3.200	6
466	610	856	0:SP3_SP2_SP3	C[6]	B	N[6]	3:3:4:1:	4:4:1:1:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BHHN)(H)	B(C[6]N[6]2H)(NC3)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(NC3)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	114.4695	0.193	2	114.4695	0.037	2	114.4695	0.037	2	114.4695	0.037	2	114.4850	3.200	6	114.4850	3.200	6
466	610	951	0:SP3_SP-NON_SP3	C[6,6]	B	H	4:4:4:1:	4:3:3:3:	4:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:N[5]-3:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	B(C[6,6]C[6,6]2H)(N[5]C[5]N[5])3	H(C[6,6]C[6,6]2B)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	B(C[6,6]C[6,6]2H)(N[5]C[5]N[5])3	H(C[6,6]C[6,6]2B)	103.1980	0.000	1	103.1980	0.000	1	103.1980	0.000	1	103.1980	0.000	1	103.1980	0.000	1	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	3:3:3:4:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]F)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2B)	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2B)	93.8555	0.000	1	93.8555	0.000	1	100.5103	88.571	2	100.5103	88.571	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	3:3:3:4:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	B(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2B)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	B(C[6a]C[6a]2)3(C[6]C[6]2H)	H(C[6]C[6]2B)	107.1650	0.000	1	107.1650	0.000	1	100.5103	88.571	2	100.5103	88.571	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	H(C[6]C[5,6]C[6]B)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	B(C[6]C[5,6]C[6]H)(C[5]N[5]2)(H)2	H(C[6]C[5,6]C[6]B)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	106.4794	2.099	5	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	H(C[6]C[6]2B)	105.4885	1.432	2	105.4885	2.050	2	105.4885	2.050	2	106.4794	2.099	5	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	H(C[6]N[6]2B)	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	106.4794	2.099	5	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BHHS)(H)	B(C[6]N[6]2H)(SCC)(H)2	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(SCC)(H)2	H(C[6]N[6]2B)	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	106.4794	2.099	5	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BHHN)(H)	B(C[6]N[6]2H)(NC3)(H)2	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	B(C[6]N[6]2H)(NC3)(H)2	H(C[6]N[6]2B)	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	3:4:4:1:	3:3:4:3:	4:	C[6]-3:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	H(C[6]C[6]2B)	105.5250	0.000	1	105.5250	0.000	1	105.5250	0.000	1	105.5250	0.000	1	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:2:4:1:	4:3:3:3:	4:	P[6]-4:O[6]-2:B-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	H(C[6]O[6]P[6]B)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	B(C[6]O[6]P[6]H)(C[6a]C[6a]2)3	H(C[6]O[6]P[6]B)	107.1000	0.173	2	107.1000	0.030	2	107.1000	0.030	2	107.1000	0.030	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6a]2H)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	108.5060	0.000	1	108.5060	0.000	1	107.6743	0.577	3	107.6743	0.577	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	107.4990	0.000	1	107.4990	0.000	1	107.6743	0.577	3	107.6743	0.577	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	H(C[6]C[6]2B)	107.0180	0.000	1	107.0180	0.000	1	107.6743	0.577	3	107.6743	0.577	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CC)	H(C[6]C[6]2B)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.0893	0.090	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H){1|C<3>,2|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	H(C[6]C[6]2B)	106.9225	0.110	2	106.9225	0.012	2	106.9225	0.012	2	107.0893	0.090	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:4:4:1:	4:	B-4:C[6]-4:C[6]-4:H-1:	C[5]-3:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H)	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	H(C[6]C[6]2B)	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	B(C[5]N[5,5]2)(C[6]C[6]2H)2(Cl)	H(C[6]C[6]2B)	106.1410	0.467	2	106.1410	0.218	2	106.1410	0.218	2	106.1475	0.178	6	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	3:4:4:1:	4:	B-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:F-1:	C[6]-4:	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H)	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	H(C[6]C[6]2B)	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2(F)	H(C[6]C[6]2B)	106.1508	0.474	4	106.1508	0.225	4	106.1508	0.225	4	106.1475	0.178	6	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:2:2:2:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:O-2:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H)	B(C[6]C[6]2H)(ON)3	H(C[6]C[6]2B)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H){1|C<3>,1|C<4>,2|H<1>}	B(C[6]C[6]2H)(ON)3	H(C[6]C[6]2B)	107.2870	0.489	3	107.2870	0.239	3	107.2870	0.239	3	107.2870	0.239	3	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H)	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	B(C[6]C[6]2H)(C[5]N[5]2)(H)2	H(C[6]C[6]2B)	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.2485	0.027	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BHHN)(H)	B(C[6]C[6]2H)(NBN)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BHHN)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)(NBN)(H)2	H(C[6]C[6]2B)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.2485	0.027	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]OO)(H)	B(C[6]C[6]2H)2(OC[5a])2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]OO)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(OC[5a])2	H(C[6]C[6]2B)	106.5740	0.264	2	106.5740	0.070	2	106.5740	0.070	2	106.5740	0.070	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:O-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CO)(H)	B(C[6]C[6]2H)2(OPtC)(CHN)	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CO)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(OPtC)(CHN)	H(C[6]C[6]2B)	105.6105	0.677	2	105.6105	0.458	2	105.6105	0.458	2	105.6105	0.458	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CN)(H)	B(C[6]C[6]2H)2(NC[6a]PtH)(CHN)	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CN)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(NC[6a]PtH)(CHN)	H(C[6]C[6]2B)	105.5410	0.202	2	105.5410	0.041	2	105.5410	0.041	2	105.5410	0.041	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CC)(H)	B(C[6]C[6]2H)2(CCHH)(CH3)	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CC)(H){1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(CCHH)(CH3)	H(C[6]C[6]2B)	106.3925	0.535	2	106.3925	0.287	2	106.3925	0.287	2	106.3925	0.287	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	5:4:4:1:	4:3:3:1:	4:	B[3x3,3x5,12x6]-5:C[6]-4:B-4:H-1:	C[6]-4:N[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H)	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	H(C[6]B[3x3,3x5,12x6]C[6]B)	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H){1|B<4>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	H(C[6]B[3x3,3x5,12x6]C[6]B)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.7955	0.433	2	106.3829	5.266	38	106.3012	5.387	39
466	610	951	0:SP3_SP-NON_SP3	C[6]	B	H	5:4:4:1:	4:3:3:1:	4:	B[3x3,3x5,9x6]-5:C[6]-4:B-4:H-1:	C[6]-4:N[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H)	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	H(C[6]B[3x3,3x5,9x6]C[6]B)	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H){1|B<3>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	H(C[6]B[3x3,3x5,9x6]C[6]B)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	107.7955	0.433	2	106.3829	5.266	38	106.3012	5.387	39
466	611	951	0:SP3_SP-NON_SP3	C[6]	N[4a]	H	3:4:4:1:	3:3:4:	4:	N[4a]-3:C[6]-4:C[6]-4:H-1:	C[4a]-3:C[4a]-3:C[6]-4:	C[6]-4:	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H)	N[4a](C[4a]N[4a]N)2(C[6]C[6]2H)	H(C[6]N[4a]C[6]2)	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	N[4a](C[4a]N[4a]N)2(C[6]C[6]2H){3|C<4>,4|H<1>}	H(C[6]N[4a]C[6]2)	107.8515	0.129	2	107.8515	0.017	2	107.8515	0.017	2	107.8515	0.017	2	107.8515	0.017	2	107.8515	0.017	2
466	618	618	6:SP3_SP2_SP2	C[6]	B[6]	B[6]	3:3:3:3:	4:4:1:	4:3:1:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[5,6]-4:C[6]-4:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl)	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1	106.8900	0.000	1
466	618	622	6:SP3_SP2_SP3	C[6]	B[6]	O[6]	3:3:3:2:	4:2:2:	4:4:	C[6a]-3:C[6a]-3:B[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6])	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi)	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC)	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi){3|C<4>,4|C<3>}	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC){2|C<4>,2|O<2>,4|C<3>}	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1
466	618	643	0:SP3_SP2_SP2	C[6]	B[6]	C[6a]	3:3:3:2:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[6]-3:O[6]-2:	C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6])	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi)	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi){3|C<4>,4|C<3>}	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	111.3585	2.874	2	111.3585	8.262	2	111.3585	8.262	2	111.3585	8.262	2	112.2000	84.886	4	112.2000	84.886	4
466	618	643	0:SP3_SP2_SP2	C[6]	B[6]	C[6a]	3:3:3:3:	4:3:1:	4:3:3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl)	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	112.2000	84.886	4	112.2000	84.886	4
466	618	643	0:SP3_SP2_SP2	C[6]	B[6]	C[6a]	3:3:3:3:	4:4:1:	4:3:3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[5,6]-4:C[6]-4:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	112.2000	84.886	4	112.2000	84.886	4
466	618	643	6:SP3_SP2_SP2	C[3x6]	B[6,6]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:B[6,6]-3:N-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC){1|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	103.8017	5.835	4	103.8017	34.050	4	103.7774	30.388	6	103.7774	30.388	6	103.8846	21.801	8	105.3429	38.218	9
466	618	643	6:SP3_SP2_SP2	C[3x6]	B[6,6]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:B[6,6]-3:N-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC){1|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	103.7288	7.056	2	103.7288	49.785	2	103.7774	30.388	6	103.7774	30.388	6	103.8846	21.801	8	105.3429	38.218	9
466	618	643	6:SP3_SP2_SP2	C[3x6]	B[6,6]	C[6,6,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:B[6,6]-4:N-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC){1|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	104.2060	0.625	2	104.2060	0.391	2	104.2060	0.391	2	104.2060	0.391	2	103.8846	21.801	8	105.3429	38.218	9
466	618	643	6:SP3_SP2_SP2	C[6]	B[6]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	117.0100	0.000	1	105.3429	38.218	9
466	618	762	6:SP3_SP2_SP2	C[6]	B[6]	C[6]	3:3:1:1:	4:3:3:	4:3:1:	B[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	110.4505	1.510	2	110.4505	2.279	2	110.4505	2.279	2	110.4505	2.279	2	110.4505	2.279	2	110.4505	2.279	2
466	618	818	0:SP3_SP2_SP2	C[6]	B[6]	C[5]	3:3:3:3:	4:3:1:	4:4:3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[5]-4:C[5]-3:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl)	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	B[6](C[6]C[6a]B[6]C[5])(C[6]C[5,6]C[6a])(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	103.3264	633.933	2	103.3264	633.933	2
466	618	818	0:SP3_SP2_SP2	C[6]	B[6]	C[5]	3:3:3:3:	4:4:1:	4:4:3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[5,6]-4:C[6]-4:Cl-1:	C[6]-4:C[5]-4:C[5]-3:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	85.5229	0.000	1	85.5229	0.000	1	85.5229	0.000	1	85.5229	0.000	1	103.3264	633.933	2	103.3264	633.933	2
466	618	856	0:SP3_SP2_SP2	C[6]	B[6,6]	N[6]	3:3:3:1:	4:4:4:	4:3:3:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H){2|C<4>,4|C<3>,8|H<1>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	114.9510	6.853	2	114.9510	46.967	2	114.9510	46.967	2	114.9510	46.967	2	114.9510	46.967	2	114.9510	46.967	2
466	618	856	0:SP3_SP2_SP3	C[6,6]	B[6,6]	N[6,6]	3:4:3:1:	4:4:4:	4:4:3:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2{1|C<3>,6|C<4>,8|H<1>}	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1
466	618	856	6:SP3_SP2_SP2	C[6]	B[6]	N[6]	3:3:4:1:	3:4:2:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1
466	618	856	6:SP3_SP2_SP3	C[6]	B[6]	N[6]	3:3:4:1:	3:4:2:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:S-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	108.5047	1.754	3	108.5047	1.754	3
466	618	856	6:SP3_SP2_SP3	C[6]	B[6]	N[6]	3:3:4:1:	3:4:3:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	107.5760	0.000	1	107.5760	0.000	1	107.7465	0.058	2	107.7465	0.058	2	108.5047	1.754	3	108.5047	1.754	3
466	618	856	6:SP3_SP2_SP3	C[6]	B[6]	N[6]	3:3:4:1:	3:4:3:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	107.9170	0.000	1	107.9170	0.000	1	107.7465	0.058	2	107.7465	0.058	2	108.5047	1.754	3	108.5047	1.754	3
466	618	880	0:SP3_SP2_SP3	C[6]	B[6]	Si	3:3:4:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	Si(C[6]C[6,6a]B[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	Si(C[6]C[6,6a]B[6]H)(CH3)3	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1
466	618	951	0:SP3_SP-NON_SP2	C[3x6]	B[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:B[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCC){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2B[6,6])	113.1530	0.044	3	113.1530	0.002	3	113.1530	0.002	3	113.1530	0.002	3	113.1137	0.007	4	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[3x6]	B[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:B[6,6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2B[6,6])	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	113.1137	0.007	4	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2	H(C[6,6]B[6,6]C[3x6]N[6,6])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2{1|C<3>,6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[3x6]N[6,6])	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	3:4:4:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H)	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2{10|H<1>,2|N<3>,3|C<4>}	H(C[6,6]B[6,6]C[6]2)	109.4545	0.030	2	109.4545	0.001	2	109.4545	0.001	2	109.4545	0.001	2	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:2:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NP)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NP){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.8695	0.046	2	109.8695	0.002	2	109.8695	0.002	2	109.6100	0.100	4	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:2:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SOs)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(SOs){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.3505	0.166	2	109.3505	0.028	2	109.3505	0.028	2	109.6100	0.100	4	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CC[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CC[5]2){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.7285	0.033	2	108.7285	0.001	2	108.7285	0.001	2	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.4477	0.588	4	109.6692	0.325	6	109.6692	0.325	6	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.1120	0.016	2	109.6692	0.325	6	109.6692	0.325	6	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2){6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.7622	0.177	4	109.7622	0.031	4	109.7622	0.031	4	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:Ge-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(GeSi[4]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(GeSi[4]2){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.1265	0.187	2	109.1265	0.035	2	109.1265	0.035	2	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NCP)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NCP){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5195	0.334	2	109.5195	0.112	2	109.4929	0.068	8	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[4]C)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NC[4]C){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.2505	0.019	2	109.2505	0.000	2	109.4929	0.068	8	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[5a]C)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NC[5a]C){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.4180	0.027	2	109.4180	0.001	2	109.4929	0.068	8	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NC[6a]C)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NC[6a]C){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.7835	0.255	2	109.7835	0.065	2	109.4929	0.068	8	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2){1|B<3>,1|C<4>,1|N<3>,2|C<3>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.4070	0.699	2	110.9223	4.412	6	110.9223	4.412	6	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2){1|B<3>,1|C<3>,1|N<3>,2|C<4>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.9305	0.005	2	110.9223	4.412	6	110.9223	4.412	6	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2){1|B<4>,1|C<3>,1|N<3>,2|C<4>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	113.4295	0.730	2	110.9223	4.412	6	110.9223	4.412	6	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[4]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(O[4]In[4]2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H){2|In<4>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(O[4]In[4]2){1|O<3>,6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.3480	1.024	2	110.3480	1.048	2	110.3480	1.048	2	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:3:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:Si-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SiSi2)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(SiSi2){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.9120	0.010	2	109.9120	0.000	2	109.9120	0.000	2	109.8366	1.211	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:4:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5634	0.651	28	109.5634	0.424	28	109.5634	0.424	28	109.5454	0.376	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:4:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	B[6,6](C[6,6]C[3x6]N[6,6]H)(C[6,6]C[6]2H)2{1|C<3>,6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.3075	0.086	2	109.3075	0.007	2	109.3075	0.007	2	109.5454	0.376	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6,6]	H	3:4:4:1:	4:4:4:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H){2|C<4>,4|C<3>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5315	0.247	2	109.5315	0.061	2	109.5315	0.061	2	109.5454	0.376	32	109.6473	0.803	71	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6,6]	B[6]	H	4:4:3:1:	4:2:2:	4:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	B[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OH)	H(C[6,6]C[6,6]B[6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	B[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]B[6]C[6])	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6,6]	H	3:3:3:1:	4:4:4:	4:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H)	H(C[6]B[6,6]N[6]2)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2H){2|C<4>,4|C<3>,8|H<1>}	H(C[6]B[6,6]N[6]2)	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:1:1:	4:3:3:	4:	B[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	H(C[6]B[6]C[6]H)	111.2350	1.562	4	111.2350	2.440	4	111.2350	2.440	4	111.2350	2.440	4	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]N[6]C)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	106.1920	10.188	2	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:S-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB){1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]N[6]C)	103.9350	0.000	1	103.9350	0.000	1	103.9350	0.000	1	106.1920	10.188	2	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2)	H(C[6]C[6,6a]B[6]Si)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]SiH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[6]C[6,6a]B[6]Si)	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	108.5353	0.682	3	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]N[6]C)	108.3800	0.000	1	108.3800	0.000	1	108.0890	0.169	2	108.5353	0.682	3	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:B[6]-3:C-4:H-1:	N[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]N[6]C)	107.7980	0.000	1	107.7980	0.000	1	108.0890	0.169	2	108.5353	0.682	3	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:4:1:1:	3:4:2:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2{2|C<4>,3|C<3>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]B[6]C[6]H)	108.5165	0.023	2	108.5165	0.001	2	108.2135	0.169	6	108.2135	0.169	6	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:4:1:1:	3:4:2:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|B<4>,1|P<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]B[6]C[6]H)	108.0620	0.435	4	108.0620	0.189	4	108.2135	0.169	6	108.2135	0.169	6	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	3:4:1:1:	3:4:4:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	B[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|P<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]B[6]C[6]H)	107.7650	0.040	4	107.7650	0.002	4	107.7650	0.002	4	107.7650	0.002	4	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:B[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2	B[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[5,6]B[6]H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	B[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|H<1>,2|F<1>,5|C<3>}	H(C[6]C[5,6]B[6]H)	109.0302	0.079	4	109.0302	0.006	4	109.0302	0.006	4	109.0302	0.006	4	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	H(C[6]B[6]C[6]H)	108.7255	1.155	4	108.8840	1.130	6	108.8840	1.130	6	108.8840	1.130	6	108.7137	2.475	29	109.4584	2.080	106
466	618	951	0:SP3_SP-NON_SP2	C[6]	B[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{2|C<4>,2|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	109.2010	1.160	2	108.8840	1.130	6	108.8840	1.130	6	108.8840	1.130	6	108.7137	2.475	29	109.4584	2.080	106
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	3:3:2:2:	3:4:	3:4:	C[6,6]-3:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[3x6]-4:	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[3x6](C[6,6]C[6]2)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	3:4:2:2:	4:3:	4:3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2{2|O<2>,3|H<1>,6|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:2:4:2:	4:3:	4:3:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6]){3|C<3>,3|C<4>,5|H<1>}	106.6700	0.000	1	107.6470	1.909	2	107.6470	1.909	2	107.6470	1.909	2	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:2:4:2:	4:3:	4:3:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6]C[6,6]C[6]){3|C<3>,3|C<4>,5|H<1>}	108.6240	0.000	1	107.6470	1.909	2	107.6470	1.909	2	107.6470	1.909	2	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:4:2:2:	3:4:	3:4:	C[6,6]-4:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[3x6]-4:	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,8|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<3>,2|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<3>,2|H<1>,3|C<3>,4|C<4>}	103.9200	0.000	1	105.7770	0.926	8	105.7770	0.926	8	105.7770	0.926	8	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:4:2:2:	3:4:	3:4:	C[6,6]-4:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[3x6]-4:	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,8|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<4>,2|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){1|P<4>,2|H<1>,3|C<3>,4|C<4>}	106.0423	0.651	7	105.7770	0.926	8	105.7770	0.926	8	105.7770	0.926	8	106.3214	1.697	12	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:3:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|H<1>,4|C<3>}	107.7660	0.000	1	107.7660	0.000	1	107.7835	0.001	2	107.7835	0.001	2	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:3:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|C<4>,4|C<3>,4|H<1>}	107.8010	0.000	1	107.8010	0.000	1	107.7835	0.001	2	107.7835	0.001	2	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	108.6240	0.000	1	108.6240	0.000	1	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	107.2760	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	108.3530	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<3>,2|C<4>,3|C<3>,4|H<1>}	109.2957	0.856	3	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	108.9610	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	107.6230	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,4|C<3>,4|H<1>}	108.3690	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	108.4210	0.000	1	108.5433	0.734	9	108.5514	0.653	10	108.5514	0.653	10	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	3:2:4:2:	4:3:	4:3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	107.2820	0.226	2	107.2820	0.051	2	107.2820	0.051	2	107.2820	0.051	2	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	3:4:2:2:	4:3:	4:3:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-3:	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6])	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6]C[6,6]C[6]){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	109.7470	0.000	1	109.7470	0.000	1	106.0077	13.810	3	106.0077	13.810	3	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	104.1380	2.578	2	104.1380	6.647	2	106.0077	13.810	3	106.0077	13.810	3	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:2:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:3:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[5a,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,2|H<1>,4|C<3>}	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:4:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[5a,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,3|C<3>,3|H<1>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	105.8230	9.724	2	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:2:2:4:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<4>,2|H<1>,3|C<3>}	103.6180	0.000	1	103.6180	0.000	1	103.6180	0.000	1	105.8230	9.724	2	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	3:4:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2{2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6]){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6]){2|C<4>,4|C<3>,4|H<1>}	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	108.0627	1.306	9	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,5|C<3>}	109.3660	0.000	1	109.3660	0.000	1	108.2779	1.016	8	108.0627	1.306	9	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	107.2140	0.000	1	107.7768	0.149	6	108.2779	1.016	8	108.0627	1.306	9	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	107.8894	0.302	5	107.7768	0.149	6	108.2779	1.016	8	108.0627	1.306	9	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	110.1960	0.000	1	110.1960	0.000	1	108.2779	1.016	8	108.0627	1.306	9	107.8037	2.474	33	107.4084	2.663	45
466	622	622	0:SP3_SP2_SP3	C[3x6]	O[6]	O[6]	4:2:3:2:	3:4:	4:4:	C[3x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6a]2O[6])(O[6]C[6,6a])(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]C[3x6]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	108.7434	3.343	5	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[3x6]	O[6]	O[6]	4:2:4:2:	4:3:	4:4:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6]-4:	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H)	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	109.0935	0.144	2	109.0935	0.021	2	109.0935	0.021	2	109.0935	0.021	2	108.7434	3.343	5	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[3x6]	O[6]	O[6]	4:3:2:2:	4:4:	3:4:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[6,6a]-3:C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6]){4|C<4>,5|C<3>}	109.9705	0.380	2	109.9705	0.144	2	109.9705	0.144	2	109.9705	0.144	2	108.7434	3.343	5	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	2:3:3:2:	4:4:	4:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	110.0400	0.000	1	110.0400	0.000	1	109.7300	0.171	3	109.7300	0.171	3	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|H<1>,3|C<3>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){2|C<3>,3|C<4>,4|H<1>}	109.5750	0.445	2	109.5750	0.198	2	109.7300	0.171	3	109.7300	0.171	3	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	3:2:2:1:	3:4:	4:4:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	3:2:2:4:	3:4:	4:4:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6]C[6,6]O[6]C)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]O[6]C)2{5|C<3>}	104.0070	1.596	4	104.0070	2.546	4	104.0070	2.546	4	104.0070	2.546	4	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	3:2:3:2:	4:4:	4:3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2){1|O<1>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	3:3:2:2:	4:3:	4:4:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH){6|C<3>}	100.4350	0.393	2	100.4350	0.155	2	100.4350	0.155	2	100.4350	0.155	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	3:4:2:2:	4:4:	3:4:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-3:C[6,6]-4:	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6])	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6])(C[6,6]C[6]2O[6]){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	111.1890	0.225	2	111.1890	0.051	2	111.1890	0.051	2	111.1890	0.051	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.8080	1.170	3	110.8080	1.369	3	108.0823	14.540	6	108.0823	14.540	6	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	101.2430	0.000	1	101.2430	0.000	1	108.0823	14.540	6	108.0823	14.540	6	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	107.4135	0.057	2	107.4135	0.003	2	108.0823	14.540	6	108.0823	14.540	6	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:3:	4:4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	106.5670	0.061	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:3:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	106.5670	0.061	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	105.6955	1.307	2	105.6955	1.709	2	105.6955	1.709	2	105.6955	1.709	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H){1|O<2>,4|C<4>}	105.4160	0.000	1	105.4160	0.000	1	105.9544	0.115	8	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	106.0725	0.265	2	106.0313	0.079	7	105.9544	0.115	8	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<4>}	105.9660	0.000	1	106.0313	0.079	7	105.9544	0.115	8	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	106.0270	0.363	4	106.0313	0.079	7	105.9544	0.115	8	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C){1|H<1>,4|C<4>}	106.2900	0.000	1	106.2900	0.000	1	106.2640	0.001	2	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<3>,3|C<4>}	106.2380	0.000	1	106.2380	0.000	1	106.2640	0.001	2	106.0163	0.107	10	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:2:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:3:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:2:4:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:4:2:	3:4:	4:4:	C[5,6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6])	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6]C[6]O[6]){2|C<3>,3|H<1>,5|C<4>}	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.1786	0.152	7	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,5|H<1>}	109.0485	0.200	6	109.0485	0.040	6	109.0485	0.040	6	109.1786	0.152	7	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	3:4:	4:4:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|O<2>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|H<1>,2|O<2>,4|C<3>}	104.1440	0.000	1	104.1440	0.000	1	104.1440	0.000	1	104.1440	0.000	1	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:4:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	109.3340	0.000	1	109.3340	0.000	1	106.9910	10.979	2	106.9910	10.979	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:4:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|O<2>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|H<1>,2|O<2>,4|C<3>}	104.6480	0.000	1	104.6480	0.000	1	106.9910	10.979	2	106.9910	10.979	2	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,4|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]O){2|O<2>,3|H<1>,4|C<4>}	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	109.7798	1.503	4	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	110.8490	0.000	1	110.8490	0.000	1	110.3687	0.174	3	109.7798	1.503	4	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C)	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6]){2|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	110.1285	0.040	2	110.1285	0.002	2	110.3687	0.174	3	109.7798	1.503	4	107.1193	7.768	51	107.2643	7.524	56
466	622	622	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6]	4:2:2:1:	4:4:	4:4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[5,6]-4:	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H)	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H){1|C<3>,3|C<4>,3|H<1>}	110.1400	0.296	4	110.1400	0.087	4	110.1400	0.087	4	110.1400	0.087	4	110.1400	0.087	4	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.6355	0.230	2	106.6355	0.053	2	106.6355	0.053	2	106.5531	0.111	8	106.5077	0.115	9	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.6302	0.281	4	106.6302	0.079	4	106.5257	0.141	6	106.5531	0.111	8	106.5077	0.115	9	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.3165	0.579	2	106.3165	0.335	2	106.5257	0.141	6	106.5531	0.111	8	106.5077	0.115	9	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	4:2:3:2:	4:4:	4:4:	C[4x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H)	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H){1|Cl<1>,1|C<3>,2|H<1>,5|C<4>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	106.5077	0.115	9	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[4x6]	O[6,6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[4x6]-4:C[6,6]-4:	C[4x6]-4:C[6]-4:	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH)	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	107.3435	0.572	2	107.3435	0.327	2	107.3435	0.327	2	107.3435	0.327	2	107.3435	0.327	2	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6]-4:C[6,6]-4:	C[6]-4:C[6,6]-4:	C[6,6](O[6]C[6])4	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3)	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3)	C[6,6](O[6]C[6])4{2|C<4>,8|H<1>}	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3){5|C<4>}	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3){5|C<4>}	107.5538	2.516	4	107.5538	6.331	4	107.5538	6.331	4	107.5538	6.331	4	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	111.0260	0.000	2	111.0260	0.000	2	111.0260	0.000	2	111.0260	0.000	2	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	113.1900	0.694	2	113.1900	0.482	2	112.7680	0.355	6	112.7680	0.355	6	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	112.4880	0.000	1	112.5570	0.252	4	112.7680	0.355	6	112.7680	0.355	6	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	112.5800	0.612	3	112.5570	0.252	4	112.7680	0.355	6	112.7680	0.355	6	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<2>,1|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	105.3750	0.000	1	105.3750	0.000	1	105.5390	0.132	9	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){2|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	105.5595	0.382	8	105.5595	0.146	8	105.5390	0.132	9	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H)	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H){1|Cl<1>,1|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H){1|N<2>,1|S<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H){2|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	106.2050	0.000	1	106.2050	0.000	1	106.2050	0.000	1	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	107.8210	0.000	1	107.8210	0.000	1	106.8056	2.042	5	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<4>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	108.2020	0.000	1	108.2020	0.000	1	106.8056	2.042	5	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	106.0017	1.274	3	106.0017	1.623	3	106.8056	2.042	5	106.0416	0.982	16	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:3:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH){2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	106.5425	0.142	2	106.5425	0.020	2	106.5425	0.020	2	106.5476	0.357	5	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:3:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH){1|C<4>,1|N<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH){1|C<4>,1|N<4>,4|H<1>}	106.5510	0.839	3	106.5510	0.705	3	106.5510	0.705	3	106.5476	0.357	5	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:3:2:	4:4:	4:4:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	108.7535	3.635	2	108.7535	13.215	2	108.7535	13.215	2	108.7535	13.215	2	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2{4|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	110.1637	0.550	3	110.1637	0.302	3	110.2763	0.252	4	110.2763	0.252	4	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2{1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.2763	0.252	4	110.2763	0.252	4	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2{1|C<3>,4|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH){2|O<2>,3|C<4>,4|H<1>}	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6]){2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){5|C<4>,8|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	111.7280	0.000	1	111.6140	0.026	2	111.6140	0.026	2	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6])	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6]){2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){6|C<4>,7|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|Cl<1>,3|C<4>,5|H<1>}	111.5000	0.000	1	111.6140	0.026	2	111.6140	0.026	2	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){1|C<3>,5|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH){2|C<3>,2|C<4>,4|H<1>}	110.0757	0.500	4	110.0757	0.250	4	110.0757	0.250	4	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{2|S<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	109.5157	3.021	3	109.5157	9.125	3	110.0332	4.542	6	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]FeH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]FeH)(C[6]C[6]HH)(O[6]C[6])2{3|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	111.2240	0.362	2	111.2240	0.131	2	110.0332	4.542	6	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	0:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]N[6a]C[6]H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|N<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]N[6a]C[6]H){2|C<3>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	109.2040	0.000	1	109.2040	0.000	1	110.0332	4.542	6	110.3693	2.341	13	108.6864	7.387	52	108.4404	6.500	67
466	622	622	6:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	C[3x6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6]-3:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]O)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	O[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,4|C<3>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	112.2957	1.836	3	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[3x6]	O[6]	O[6]	4:4:2:2:	4:3:	4:3:	C[5,6,6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6]-3:	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6])	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6]C[6,6a]O)	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2C)(O[6]C[6,6a])(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	O[6](C[3x6]C[5,6,6]C[3x6]O[6])(C[6]C[6,6a]O){1|O<2>,2|C<4>,5|C<3>}	111.5330	0.426	2	111.5330	0.181	2	111.5330	0.181	2	111.5330	0.181	2	112.2957	1.836	3	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<4>,3|C<3>,5|H<1>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:3:3:2:	3:4:	4:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	114.4520	0.570	2	114.3340	0.204	3	114.3340	0.204	3	114.3340	0.204	3	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	2:3:3:2:	3:4:	4:3:	O[6]-2:C[6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)	C[6,6](O[6]C[6,6a])(C[6]C[6]C)(C[6]C[6]O)(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	114.0980	0.000	1	114.3340	0.204	3	114.3340	0.204	3	114.3340	0.204	3	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	3:2:2:4:	3:4:	3:4:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:4:2:2:	3:4:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]O)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6]){1|C<3>,5|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	110.5267	0.928	3	110.5267	0.862	3	110.5267	0.862	3	110.5267	0.862	3	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:4:2:2:	4:3:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	109.6868	0.615	8	109.6915	0.238	16	109.6915	0.238	16	109.6915	0.238	16	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:4:2:2:	4:3:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,2|O<1>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	109.9193	0.186	4	109.6915	0.238	16	109.6915	0.238	16	109.6915	0.238	16	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6,6]	O[6]	O[6]	4:4:2:2:	4:3:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,2|O<1>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	109.4733	0.373	4	109.6915	0.238	16	109.6915	0.238	16	109.6915	0.238	16	110.3983	2.805	24	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	O[6](C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](O[6]C[6,6a])(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]HH){2|C<3>}	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	110.9210	0.061	2	110.9210	0.004	2	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	110.6500	0.000	1	110.6500	0.000	1	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	110.2070	0.256	2	110.2070	0.066	2	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	110.6950	1.130	3	110.6950	1.278	3	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	112.7340	0.000	1	112.7340	0.000	1	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]N)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	O[6](C[6]C[6,6a]N)(C[6]O[6]CH){1|C<3>,1|N<2>}	111.3390	0.000	1	111.3390	0.000	1	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	110.8580	0.000	1	110.8580	0.000	1	110.9020	0.733	11	110.9020	0.733	11	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:3:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:3:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CC3)(CCC)	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)	O[6](C[6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|H<1>,3|C<4>}	O[6](C[6]C[6,6]H)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	109.1697	0.700	9	109.1697	0.490	9	109.2291	0.342	13	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	109.2540	0.000	1	109.3628	0.025	4	109.2291	0.342	13	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	109.3990	0.172	3	109.3628	0.025	4	109.2291	0.342	13	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	109.5080	0.318	2	109.5080	0.101	2	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[4,6]O)(C[6]O[6]CC)	O[6](C[6]C[4,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[4,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	O[6](C[6]C[4,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	112.3980	0.000	1	112.3980	0.000	1	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	111.6830	0.337	2	110.2435	1.290	6	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	109.5238	0.199	4	110.2435	1.290	6	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|S<2>}	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|S<2>}	111.0880	0.208	2	111.5742	1.100	5	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	111.8983	1.336	3	111.5742	1.100	5	110.7676	1.668	14	109.9764	1.617	28	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CCHH)(CH3)	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<3>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	109.2560	0.000	1	109.2560	0.000	1	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{3|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|O<1>}	109.8610	0.709	2	109.8610	0.502	2	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<2>,1|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<2>,1|C<3>}	110.1730	0.000	1	109.2310	0.275	7	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	108.6000	0.000	1	109.2310	0.275	7	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|H<1>}	109.2490	0.268	4	109.2310	0.275	7	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	108.8480	0.000	1	109.2310	0.275	7	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	108.3690	0.000	1	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	110.3331	0.676	8	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>}	110.3688	0.524	4	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	109.5675	0.756	102	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	110.3435	1.438	31	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>}	110.5560	0.000	1	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>}	112.0879	1.347	10	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|H<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|H<1>}	110.5600	0.000	1	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	2:2:4:4:	4:3:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|N<3>,2|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|N<3>,2|C<3>}	109.7640	0.000	1	109.9421	1.334	159	109.9077	1.290	169	109.9077	1.290	169	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	3:2:2:3:	3:4:	4:3:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O){4|C<3>}	109.6395	0.391	2	109.6395	0.153	2	109.6395	0.153	2	109.6395	0.153	2	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	4:2:2:1:	3:4:	4:3:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.7000	0.000	1	111.7000	0.000	1	111.5975	0.021	2	111.5975	0.021	2	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP2	C[6]	O[6]	O[6]	4:2:2:1:	3:4:	4:3:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H)	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.4950	0.000	1	111.4950	0.000	1	111.5975	0.021	2	111.5975	0.021	2	109.9903	1.339	215	110.0593	1.550	242
466	622	622	6:SP3_SP2_SP3	C[3x6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.5410	0.000	1	110.6305	0.016	2	110.6305	0.016	2	110.6305	0.016	2	110.6305	0.016	2	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[3x6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.7200	0.000	1	110.6305	0.016	2	110.6305	0.016	2	110.6305	0.016	2	110.6305	0.016	2	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[3x6]	O[6]	O[6]	4:4:2:2:	3:4:	4:4:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[5a,6]-3:C[3x6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6])	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6])	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2)	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6]){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]2O[6]){1|N<2>,2|C<3>,2|H<1>,5|C<4>}	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2){1|N<2>,2|H<1>,4|C<4>,5|C<3>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6,6]	O[6]	3:2:2:1:	4:4:	4:2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	109.4570	0.000	1	109.2437	0.036	3	109.2437	0.036	3	109.2437	0.036	3	109.2003	2.407	6	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6,6]	O[6]	3:2:2:1:	4:4:	4:2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	109.0930	0.000	1	109.2437	0.036	3	109.2437	0.036	3	109.2437	0.036	3	109.2003	2.407	6	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6,6]	O[6]	3:2:2:1:	4:4:	4:2:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	109.1810	0.000	1	109.2437	0.036	3	109.2437	0.036	3	109.2437	0.036	3	109.2003	2.407	6	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6,6]	O[6]	3:2:3:2:	4:4:	4:2:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	107.7475	0.177	2	107.7475	0.032	2	107.7475	0.032	2	107.7475	0.032	2	109.2003	2.407	6	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6,6]	O[6]	4:2:2:1:	4:4:	4:3:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H)	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H)	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H){3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H){2|C<3>,3|C<4>}	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	109.2003	2.407	6	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	2:2:3:3:	3:4:	4:4:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:1:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	110.6120	0.151	2	110.6120	0.023	2	110.2127	0.490	3	110.2127	0.490	3	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:1:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H){1|H<1>,1|O<2>,4|C<3>}	109.4140	0.000	1	109.4140	0.000	1	110.2127	0.490	3	110.2127	0.490	3	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:4:	3:4:	4:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[3x6]-4:C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C)	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C){1|H<1>,2|C<4>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	109.5500	0.253	4	109.4090	0.147	5	109.4519	0.122	7	109.4519	0.122	7	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	108.8450	0.000	1	109.4090	0.147	5	109.4519	0.122	7	109.4519	0.122	7	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	109.3260	0.000	1	109.5590	0.109	2	109.4519	0.122	7	109.4519	0.122	7	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	3:2:2:4:	4:3:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	109.7920	0.000	1	109.5590	0.109	2	109.4519	0.122	7	109.4519	0.122	7	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6,6]	4:2:2:4:	3:4:	4:4:	C[6]-4:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C){2|H<1>,4|C<3>}	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	109.9666	1.423	13	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(O[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH){2|C<3>,2|C<4>,4|H<1>}	109.7475	0.047	2	109.7475	0.002	2	109.7475	0.002	2	109.7475	0.002	2	110.6660	1.234	4	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	2:4:4:2:	4:4:	3:4:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[4,5,6]-4:C[6,6]-4:	C[6]-3:C[6,6]-4:	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6])	O[6](C[4,5,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[6,6]C[6]2O[6])	O[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[6])	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	O[6](C[4,5,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[6,6]C[6]2O[6]){1|C<3>,4|H<1>,6|C<4>}	O[6](C[6]C[4,5,5,6,6]O)(C[6,6]C[6]2O[6]){4|H<1>,5|C<4>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	110.6660	1.234	4	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:3:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH)	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(O[6]C[6])2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	110.6660	1.234	4	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6,6])(H)2	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH)	C[6](O[6]C[6,6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:3:1:	4:4:	3:4:	O[6]-2:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	O[6](C[6]C[6,6]H)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]H)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:3:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	O[6](C[6]O[6]CH)(C[6]C[6]H)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	O[6](C[6]O[6]CH)(C[6]C[6]H){2|C<4>}	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	109.1165	0.191	4	109.3605	0.126	10	109.3605	0.126	10	109.3605	0.126	10	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	3:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	109.5232	0.353	6	109.3605	0.126	10	109.3605	0.126	10	109.3605	0.126	10	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[4x6]-4:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC)	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	109.6043	0.263	3	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,4x6]-4:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC)	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.6043	0.263	3	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6043	0.263	3	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|N<3>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	111.9730	0.000	1	111.9730	0.000	1	109.5807	4.322	3	109.5807	4.322	3	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	108.3845	0.243	2	108.3845	0.059	2	109.5807	4.322	3	109.5807	4.322	3	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	3:2:2:1:	3:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H){1|N<2>,7|C<3>}	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	110.5737	1.328	4	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP2_SP3	C[6]	O[6]	O[6]	3:2:2:1:	3:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H){2|C<4>,4|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH){4|C<3>}	111.1263	0.400	3	111.1263	0.160	3	111.1263	0.160	3	110.5737	1.328	4	109.7469	0.912	23	109.7992	1.378	49
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	112.2915	0.323	2	112.2915	0.104	2	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,4|H<1>}	111.5370	0.000	1	111.5370	0.000	1	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|D<1>}	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H){2|C<4>,2|D<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H){2|C<4>,2|D<1>,2|O<2>}	111.3417	0.107	3	111.3417	0.011	3	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.3560	0.000	1	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	110.4720	0.000	1	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.9170	0.000	1	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	112.0370	0.000	1	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<3>}	111.3640	0.164	2	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	111.5510	0.000	1	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<4>}	111.2345	0.599	2	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	111.2950	0.474	106	111.2939	0.223	115	111.3136	0.230	121	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[4x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H){2|C<4>,2|H<1>,2|O<2>}	110.6850	0.269	4	110.6850	0.073	4	110.6850	0.073	4	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H){1|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|H<1>,4|C<4>}	110.8720	0.000	1	110.8720	0.000	1	111.0730	0.081	2	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:1:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H){1|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,4|H<1>}	111.2740	0.000	1	111.2740	0.000	1	111.0730	0.081	2	111.2900	0.234	127	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.0430	0.085	5	111.0430	0.007	5	110.5594	0.318	17	110.2692	0.386	26	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	110.5630	0.000	1	110.3579	0.309	12	110.5594	0.318	17	110.2692	0.386	26	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.4610	0.887	2	110.3579	0.309	12	110.5594	0.318	17	110.2692	0.386	26	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.3122	0.563	9	110.3579	0.309	12	110.5594	0.318	17	110.2692	0.386	26	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[4x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.7210	0.230	9	109.7210	0.053	9	109.7210	0.053	9	110.2692	0.386	26	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){1|C<3>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	110.5270	0.000	1	109.9820	0.242	4	110.1772	0.247	18	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	109.8003	0.407	3	109.9820	0.242	4	110.1772	0.247	18	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	O[6,6](C[3x6]C[6,6]2C[6])(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2C[6])(C[3x6]O[6,6]2C){4|C<4>,5|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	110.4715	0.248	2	110.4715	0.062	2	110.1772	0.247	18	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	110.6590	0.000	1	110.1932	0.281	12	110.1772	0.247	18	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,2|H<1>,2|O<2>}	110.1508	0.534	11	110.1932	0.281	12	110.1772	0.247	18	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6](O[6,6]C[6,6])3(CCHN)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	C[3x6](O[6,6]C[6,6])3(CCHN){1|C<4>,6|H<1>}	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	110.4173	0.409	3	110.4173	0.167	3	110.3975	0.551	6	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6](O[6,6]C[6,6])3(CN[5]HH)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	C[3x6](O[6,6]C[6,6])3(CN[5]HH){1|C<4>,6|H<1>}	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	110.3777	1.099	3	110.3777	1.208	3	110.3975	0.551	6	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){1|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){1|C<3>,2|H<1>,3|C<4>}	109.8230	0.000	1	110.3560	0.162	4	110.7189	0.298	8	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){4|H<1>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){2|H<1>,4|C<4>}	110.5337	0.232	3	110.3560	0.162	4	110.7189	0.298	8	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){1|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	111.1700	0.000	1	111.0817	0.183	4	110.7189	0.298	8	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	2:2:2:4:	4:4:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){4|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	111.0523	0.518	3	111.0817	0.183	4	110.7189	0.298	8	110.3539	0.345	32	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	3:2:2:1:	4:4:	4:4:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H)	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO){1|C<3>,1|H<1>,2|C<4>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	111.3257	0.307	6	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	3:2:2:1:	4:4:	4:4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){1|C<3>,3|C<4>,3|H<1>}	111.3370	0.000	1	111.4515	0.026	2	111.4515	0.026	2	111.3257	0.307	6	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	3:2:2:1:	4:4:	4:4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){2|C<3>,2|C<4>,3|H<1>}	111.5660	0.000	1	111.4515	0.026	2	111.4515	0.026	2	111.3257	0.307	6	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	3:2:2:1:	4:4:	4:4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[4x6]-4:C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	111.6020	0.000	1	111.6020	0.000	1	111.6007	0.045	3	111.3257	0.307	6	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	3:2:2:1:	4:4:	4:4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[4x6]-4:C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	111.6000	0.301	2	111.6000	0.091	2	111.6007	0.045	3	111.3257	0.307	6	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:1:	4:4:	4:4:	C[3,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H){1|C<4>,1|F<1>,4|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.2182	1.130	4	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:1:	4:4:	4:4:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	110.0720	1.252	3	110.0720	1.567	3	110.0720	1.567	3	110.2182	1.130	4	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C)	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH){1|S<2>,2|O<2>,3|C<4>,3|H<1>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C){4|H<1>,5|C<4>}	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H){3|H<1>,5|C<4>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H){3|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|H<1>,4|C<4>}	109.9840	0.000	1	109.9840	0.000	1	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O){3|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|H<1>,4|C<4>}	109.5590	0.000	1	109.5590	0.000	1	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.3725	0.006	2	110.3725	0.000	2	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4115	0.268	21	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Cl<1>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.3210	0.342	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4735	0.165	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|P<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4285	0.438	4	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){2|C<4>,5|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4065	0.231	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Co<4>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.7105	0.439	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Ir<4>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.6047	0.253	4	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<1>,1|P<4>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4490	0.194	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4672	0.317	6	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.3002	0.784	6	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.2480	1.221	4	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.6750	0.165	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.5101	0.400	14	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4512	0.488	9	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.6670	0.441	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Rh<4>,1|N<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.6363	0.801	4	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){4|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.5985	0.542	2	110.4627	0.208	88	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3)	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3){2|O<2>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C){1|C<3>,2|C<4>,5|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4462	0.208	93	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]O[6,6]C)	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3){2|O<2>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]O[6,6]C){2|C<3>,2|C<4>,7|H<1>}	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C)	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<4>,3|H<1>}	110.2430	0.000	1	110.2430	0.000	1	110.0595	0.067	2	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){2|H<1>,2|O<2>,3|C<4>}	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|H<1>,3|C<4>}	109.8760	0.000	1	109.8760	0.000	1	110.0595	0.067	2	110.4312	0.206	97	110.7973	0.464	292	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6,6]	O[6]	4:2:4:2:	4:4:	4:2:	C[6,6]-4:O[6,6]-2:C[6]-4:O[6]-2:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:O[6]-2:	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6])	O[6,6](C[3x6]C[6,6]C[6]O[6])(C[3x6]C[6,6]C[6]2)	O[6](C[3x6]C[6,6]O[6,6]C[6])(O[6]C[6,6])	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6]){4|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6]C[6]O[6])(C[3x6]C[6,6]C[6]2){2|O<2>,5|C<4>,7|H<1>}	O[6](C[3x6]C[6,6]O[6,6]C[6])(O[6]C[6,6]){1|O<2>,3|H<1>,5|C<4>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	C[3x6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[5a,6]O[6]2)(O[6]C[6])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.2690	0.016	2	106.2690	0.000	2	106.2690	0.000	2	106.2690	0.000	2	106.9847	0.784	4	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	4:4:2:2:	4:2:	4:2:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:O[6]-2:	C[3x6]-4:O[6]-2:	C[3x6](C[3x6]C[6,6]2H)2(O[6]O[6])2	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6,6])	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6,6])	C[3x6](C[3x6]C[6,6]2H)2(O[6]O[6])2{3|C<4>,8|H<1>}	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6,6]){1|O<2>,2|H<1>,6|C<4>}	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6,6]){1|O<2>,2|H<1>,6|C<4>}	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	106.9847	0.784	4	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[3x6]	O[6]	O[6]	4:4:2:2:	4:4:	4:2:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:O[6]-2:	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[6])(O[6]O[6])	O[6](C[3x6]C[3x6]2O[6])(C[6]C[6]HH)	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6])	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[6])(O[6]O[6]){10|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]2O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[3x6]C[3x6]2O[6])(O[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	106.9847	0.784	4	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[4x6]	O[3x6]	O[6,6]	4:2:2:1:	4:4:	4:4:	C[5x6]-4:O[6,6]-2:O[3x6]-2:H-1:	C[4x6]-4:C[4x6]-4:	C[5,3x6]-4:C[4x6]-4:	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H)	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]H)	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H)	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H){1|O<2>,5|H<1>,6|C<4>}	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H){1|C<3>,1|H<1>,6|C<4>}	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[4x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[4x6]-4:C[3x6]-4:	C[4x6]-4:C[4x6]-4:	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[3x6]2O)	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C){4|H<1>,5|C<4>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[3x6]2O){5|H<1>,6|C<4>}	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	109.4870	1.080	2	109.4870	1.080	2	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[4x6]	O[6,6]	O[6,6]	4:2:2:4:	4:4:	4:4:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[4x6]-4:C[4x6]-4:	C[4x6]-4:C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]C[6])	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]C[6]){1|C<3>,6|H<1>,7|C<4>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]O){2|C<3>,4|H<1>,5|C<4>}	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	109.4870	1.080	2	109.4870	1.080	2	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6,6]	O[6]	2:4:2:4:	4:4:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	109.7983	0.810	3	109.7983	0.656	3	109.9436	0.440	5	109.9436	0.440	5	109.9436	0.440	5	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6,6]	O[6]	2:4:2:4:	4:4:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){3|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.5430	0.000	1	110.5430	0.000	1	109.9436	0.440	5	109.9436	0.440	5	109.9436	0.440	5	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6,6]	O[6]	2:4:2:4:	4:4:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|Cl<1>,2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.7800	0.000	1	109.7800	0.000	1	109.9436	0.440	5	109.9436	0.440	5	109.9436	0.440	5	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6])4	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	C[6,6](O[6]C[6])4{2|C<3>,8|H<1>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){1|C<3>,3|C<4>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){1|C<3>,3|C<4>}	109.0960	3.686	4	109.1192	11.561	8	109.1192	11.561	8	110.2345	11.784	11	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6])4	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	C[6,6](O[6]C[6])4{2|C<4>,8|H<1>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){2|H<1>,3|C<4>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){2|H<1>,3|C<4>}	109.1425	3.658	4	109.1192	11.561	8	109.1192	11.561	8	110.2345	11.784	11	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6]-4:C[6,6]-4:	C[6]-4:C[6,6]-4:	C[6,6](O[6]C[6])4	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3)	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3)	C[6,6](O[6]C[6])4{2|C<4>,8|H<1>}	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3){5|C<4>}	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3){5|C<4>}	113.2875	0.629	2	113.2875	0.395	2	113.2875	0.395	2	110.2345	11.784	11	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:S[6]-2:S[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](O[6]C[6])2(S[6]C[6])2	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH)	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH)	C[6,6](O[6]C[6])2(S[6]C[6])2{2|C<4>,8|H<1>}	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH){2|H<1>,3|C<4>}	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH){2|H<1>,3|C<4>}	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	110.2345	11.784	11	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	3:4:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH){2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){2|C<4>,2|H<1>,2|O<2>}	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.1160	0.000	2	112.7105	0.219	4	112.7105	0.219	4	112.6690	0.173	5	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[3,6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(O[6]C[6])2{2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.3050	0.000	2	112.7105	0.219	4	112.7105	0.219	4	112.6690	0.173	5	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	112.5030	0.000	1	112.5030	0.000	1	112.5030	0.000	1	112.6690	0.173	5	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:O[6]-2:	C[6,6](C[6]C[6]HH)2(O[6]O[6])2	O[6](C[6,6]C[6]2O[6])(O[6]C[3x6])	O[6](C[6,6]C[6]2O[6])(O[6]C[3x6])	C[6,6](C[6]C[6]HH)2(O[6]O[6])2{2|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(O[6]C[3x6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(O[6]C[3x6]){1|O<2>,4|C<4>,4|H<1>}	108.2120	0.000	1	108.2120	0.000	1	109.1213	3.918	4	109.1213	3.918	4	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:O[6]-2:	C[6,6](C[6]C[6]HH)2(O[6]O[6])2	O[6](C[6,6]C[6]2O[6])(O[6]C[6,6])	O[6](C[6,6]C[6]2O[6])(O[6]C[6,6])	C[6,6](C[6]C[6]HH)2(O[6]O[6])2{2|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(O[6]C[6,6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(O[6]C[6,6]){1|O<2>,4|C<4>,4|H<1>}	109.4243	2.308	3	109.4243	5.325	3	109.1213	3.918	4	109.1213	3.918	4	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:2:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:O[6]-2:	C[6,6](C[6]C[6]HH)2(O[6]C[6])(O[6]O[6])	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(O[6]C[6])	C[6,6](C[6]C[6]HH)2(O[6]C[6])(O[6]O[6]){2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6]2O[6])(O[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH)	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH)	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{3|C<4>,7|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	111.0360	0.000	1	111.0360	0.000	1	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	110.7840	0.000	1	110.7840	0.000	1	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,6|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,6|C<4>}	110.6530	0.000	1	110.6530	0.000	1	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,3|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,3|H<1>,5|C<4>}	111.3160	0.000	1	111.3160	0.000	1	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	110.7100	0.000	1	110.5610	0.017	3	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|N<2>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	110.4930	0.000	1	110.5610	0.017	3	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,5|C<4>}	110.4800	0.000	1	110.5610	0.017	3	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2{4|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){4|C<4>,5|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	110.7340	0.000	1	110.7340	0.000	1	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|N<3>,4|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	109.6895	0.049	2	109.8506	0.529	8	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	109.9043	0.852	6	109.8506	0.529	8	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	110.3915	0.200	2	110.3915	0.040	2	110.3219	0.454	18	110.4736	0.866	19	110.3991	4.947	42	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)	O[6](C[6]C[5,6]HH)(C[6]O[6]HH)	C[6](O[6]C[5,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6](O[6]C[6,6])2(H)2{2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	112.1442	0.332	5	112.1442	0.110	5	112.1442	0.110	5	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	O[6](C[6]C[6,6]HH)(C[6]O[6]HH)	C[6](O[6]C[6,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<3>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]CH)(C[6]O[6]HH)	O[6](C[6]C[6]HH)(C[6]O[6]HH)	C[6](O[6]C[6])2(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]HH){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	111.3440	0.000	1	111.3440	0.000	1	109.8275	23.400	6	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	O[6](C[6]C[6]HH)(C[6]O[6]HH)	C[6](O[6]C[6])2(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|N<2>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|N<2>,1|O<2>}	111.2710	0.000	1	109.5242	28.561	5	109.8275	23.400	6	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	O[6](C[6]C[6]HH)(C[6]O[6]HH)	C[6](O[6]C[6])2(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	109.0875	6.067	4	109.5242	28.561	5	109.8275	23.400	6	110.9325	11.031	13	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:2:1:	4:4:	4:4:	O[6]-2:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(OC)(H)	O[6](C[6]C[6]HH)(C[6]O[6]HO)	O[6](C[6]C[6]HH)(C[6]O[6]HO)	C[6](O[6]C[6])2(OC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HO){1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]HO){1|C<4>,1|H<1>,1|N<3>}	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])2(CH3)(H)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH)	C[6](O[6]C[3x6])2(CH3)(H){2|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	111.1693	0.237	3	111.1693	0.056	3	111.3106	1.295	19	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	111.4236	1.297	14	111.3371	1.542	16	111.3106	1.295	19	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	110.7320	0.645	2	111.3371	1.542	16	111.3106	1.295	19	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	110.4820	0.000	1	110.4820	0.000	1	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	110.9283	0.189	3	110.8385	0.056	4	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	110.5690	0.000	1	110.8385	0.056	4	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	O[6](C[6]C[6]HO)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){3|C<4>}	O[6](C[6]C[6]HO)(C[6]O[6]CH){3|C<4>}	110.5570	0.000	1	110.5570	0.000	1	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	110.7750	0.000	1	110.7750	0.000	1	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	111.4127	0.397	10	111.2501	0.230	14	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|H<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|H<1>,2|C<4>}	110.1820	0.000	1	111.2501	0.230	14	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	111.0643	0.165	3	111.2501	0.230	14	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	110.3800	0.000	1	110.6947	0.242	3	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	110.8520	0.578	2	110.6947	0.242	3	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	110.9138	0.390	5	110.9138	0.152	5	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:1:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]O[6]CH)2	O[6](C[6]O[6]CH)2	C[6](O[6]C[6])2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]O[6]CH)2{1|C<4>}	O[6](C[6]O[6]CH)2{1|C<4>}	109.2582	0.385	13	109.2582	0.148	13	110.4686	0.864	42	110.7388	1.119	62	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:2:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])2(CH3)(OC)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO)	C[6](O[6]C[3x6])2(CH3)(OC){2|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	112.2105	1.629	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:2:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	C[6](O[6]C[6,6])2(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	112.2105	1.629	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:3:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(CHH)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)(CHH){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	109.0660	0.000	1	109.0660	0.000	1	109.2765	0.089	2	109.2765	0.089	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:3:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(CHH)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	109.4870	0.000	1	109.4870	0.000	1	109.2765	0.089	2	109.2765	0.089	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:2:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:	C[6]-4:O[6]-2:	C[6](O[6]O[6])2(CH3)2	O[6](C[6]O[6]CC)(O[6]C[6])	O[6](C[6]O[6]CC)(O[6]C[6])	C[6](O[6]O[6])2(CH3)2{1|C<4>}	O[6](C[6]O[6]CC)(O[6]C[6]){1|O<2>,2|C<4>}	O[6](C[6]O[6]CC)(O[6]C[6]){1|O<2>,2|C<4>}	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC)	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	107.8956	0.303	16	107.8956	0.092	16	108.0802	0.289	33	108.0964	0.289	34	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	107.7214	0.410	8	108.2538	0.425	17	108.0802	0.289	33	108.0964	0.289	34	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	108.7271	0.409	9	108.2538	0.425	17	108.0802	0.289	33	108.0964	0.289	34	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](O[6]C[6])(O[6]O[6])(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]O[6]CC)(O[6]C[6])	C[6](O[6]C[6])(O[6]O[6])(CH3)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]O[6]CC)(O[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.0964	0.289	34	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC)	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	108.1660	0.057	2	108.1660	0.003	2	108.1660	0.003	2	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[4x6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC)	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,3|C<4>}	111.1735	0.310	2	111.1735	0.096	2	111.1735	0.096	2	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2{2|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC){1|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC){3|C<4>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC){1|C<2>,1|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC){6|C<4>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC)	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC){1|O<2>,2|C<4>}	111.3475	0.421	2	111.3475	0.177	2	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]CC)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC){1|H<1>,5|C<4>}	O[6](C[6]C[5,6]CC)(C[6]O[6]CC){1|H<1>,2|C<4>}	111.0050	0.000	1	111.0050	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|N<3>,2|C<4>}	110.4220	0.000	1	110.4220	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.4220	0.000	1	109.4220	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.3935	0.808	10	109.3935	0.654	10	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	110.8490	0.000	1	110.8490	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.2060	0.000	1	109.2060	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.7490	0.000	1	108.7490	0.000	1	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	108.9630	0.000	1	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	110.9240	0.000	1	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	110.1527	0.874	3	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	110.5830	0.000	1	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	110.6230	0.598	6	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	110.4939	0.628	8	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	108.6300	0.000	1	110.3451	0.604	21	110.0905	0.844	39	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	109.5140	0.000	1	109.6800	0.053	3	109.6800	0.053	3	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|O<1>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|O<1>,2|C<4>,2|H<1>}	109.7630	0.256	2	109.6800	0.053	3	109.6800	0.053	3	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	109.3212	0.029	5	109.8262	0.515	9	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	110.4575	0.645	4	109.8262	0.515	9	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.8330	0.000	1	110.1378	0.189	5	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	110.2140	0.461	4	110.1378	0.189	5	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){3|C<4>,3|H<1>}	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	109.8713	0.753	4	109.8713	0.567	4	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	110.5240	0.006	2	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	111.1250	0.000	1	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	108.9490	0.000	1	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	110.2105	0.036	2	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	110.8930	0.000	1	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	110.8090	1.891	12	110.6392	2.403	19	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	109.3250	0.000	1	109.3250	0.000	1	110.2652	1.508	38	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCCH)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCCH)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	109.7065	0.790	2	109.7065	0.624	2	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(CH3)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	110.4270	0.000	1	110.4270	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	110.4650	0.000	1	110.4650	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[4,6]HH)(C[6]O[6]CC)	O[6](C[6]C[4,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[4,6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[4,6]HH)(C[6]O[6]CC){3|C<4>}	109.9940	0.000	1	109.9940	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC){1|N<3>,2|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC){1|N<3>,2|C<4>}	109.9170	0.000	1	109.9170	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	109.6700	0.000	1	109.6700	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	109.7730	0.000	1	109.7730	0.000	1	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	110.0170	0.495	2	110.0170	0.245	2	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	109.6130	1.813	2	109.6202	1.063	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	109.9385	0.613	2	109.6202	1.063	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	108.9980	0.000	1	109.6202	1.063	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	108.4580	0.000	1	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	110.3462	0.421	4	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	109.9700	0.000	1	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	110.0535	0.042	2	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	109.2090	0.000	1	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	109.0130	0.000	1	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.3160	0.000	1	109.7689	0.488	11	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	109.3420	0.000	1	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	109.5397	0.677	6	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	110.1832	0.406	6	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<2>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<2>,1|O<2>}	109.3000	0.350	3	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	108.9510	0.000	1	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	109.1615	0.083	2	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	110.1435	0.305	4	109.7142	0.351	23	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	109.2763	0.511	3	109.7100	0.483	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|H<1>}	110.3820	0.000	1	109.7100	0.483	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:2:4:4:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){2|C<4>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	110.3390	0.000	1	109.7100	0.483	5	109.7635	0.396	54	110.0036	0.896	142	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:4:2:2:	4:4:	4:4:	O[6]-2:C-4:O[6]-2:C-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	112.9460	0.000	1	113.7383	3.231	3	113.7383	3.231	3	113.7383	3.231	3	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	2:4:2:2:	4:4:	4:4:	O[6]-2:C-4:O[6]-2:C-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	114.1345	2.350	2	113.7383	3.231	3	113.7383	3.231	3	113.7383	3.231	3	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:2:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6]){2|C<4>,3|C<3>}	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	110.0045	2.383	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:2:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O[6]-2:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	110.0045	2.383	2	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,3|C<4>}	111.4878	0.551	4	111.4878	0.304	4	111.9793	0.342	11	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	111.6850	0.000	1	112.2833	0.193	6	111.9793	0.342	11	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>}	112.4030	0.366	5	112.2833	0.193	6	111.9793	0.342	11	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|S<2>,3|C<4>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|S<2>,3|C<4>}	112.1210	0.000	1	112.1210	0.000	1	111.9793	0.342	11	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N[6])(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]N[6])(O[6]C[6])2(H){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.5390	0.028	2	110.1098	0.439	4	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	110.6805	0.121	2	110.1098	0.439	4	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	112.2710	0.000	1	112.2710	0.000	1	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4140	0.000	1	110.9689	0.365	7	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|H<1>,2|C<3>,2|C<4>}	111.0613	0.605	6	110.9689	0.365	7	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.0983	0.491	3	110.2553	1.122	8	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.4940	1.850	2	110.2553	1.122	8	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9920	0.000	1	110.2553	1.122	8	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.3835	0.320	2	110.2553	1.122	8	110.5767	0.895	20	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|O<2>,4|C<4>}	110.9750	0.000	1	110.9750	0.000	1	110.4393	0.190	4	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.2607	0.307	3	110.2607	0.094	3	110.4393	0.190	4	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.6360	0.000	1	112.6360	0.000	1	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5070	0.110	4	110.5070	0.012	4	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.3230	0.000	2	110.6479	0.263	9	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.3280	0.000	1	110.6479	0.263	9	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9560	0.000	1	110.6479	0.263	9	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.4550	0.000	1	110.6479	0.263	9	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.8615	0.400	4	110.6479	0.263	9	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4910	0.000	1	110.4910	0.000	1	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH){1|H<1>,2|C<3>,2|C<4>}	110.3390	0.245	2	110.3390	0.060	2	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9353	0.200	3	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9590	0.000	1	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	111.7260	0.000	1	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5080	0.000	1	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9807	0.367	3	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.8160	0.000	1	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5616	0.582	7	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.9820	0.290	2	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.7553	0.569	3	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.0683	0.795	31	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	112.3240	0.000	1	110.9881	0.584	54	110.9158	0.551	71	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){2|C<3>,3|C<4>}	110.3305	0.968	2	110.3305	0.937	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	110.4540	0.124	2	110.4540	0.015	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>}	109.4800	0.000	1	109.5560	0.012	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>}	109.6320	0.000	1	109.5560	0.012	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.1145	0.374	2	111.1145	0.140	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	111.0990	0.000	1	110.9130	0.320	12	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	111.7740	0.000	1	110.9130	0.320	12	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	110.9681	0.476	8	110.9130	0.320	12	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	110.1690	0.151	2	110.9130	0.320	12	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.5690	0.648	2	109.5690	0.420	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	111.5375	0.507	2	111.6360	0.158	3	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	111.8330	0.000	1	111.6360	0.158	3	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.2850	0.000	1	110.4400	0.048	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	110.5950	0.000	1	110.4400	0.048	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	111.6050	0.000	1	110.4450	2.691	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.2850	0.000	1	110.4450	2.691	2	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.0270	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.5555	0.156	2	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.9190	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5780	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.1290	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.2720	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.8530	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	110.9940	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>}	110.3580	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<3>,3|C<4>}	110.8763	0.354	3	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.3720	0.526	5	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<4>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<4>,3|C<3>}	110.5410	0.000	1	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.0890	0.442	3	111.1154	0.220	22	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|P<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	109.9710	0.000	1	109.9710	0.000	1	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	111.3740	0.000	1	111.3740	0.000	1	110.8597	0.490	53	110.9233	0.643	160	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	112.8450	0.000	1	112.8450	0.000	1	112.2750	0.374	3	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	111.9900	0.511	2	111.9900	0.261	2	112.2750	0.374	3	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	112.6785	0.095	2	112.6785	0.009	2	111.6215	0.332	15	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	111.2280	0.120	2	111.2280	0.014	2	111.6215	0.332	15	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	111.5524	0.425	10	111.5524	0.180	10	111.6215	0.332	15	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	110.9850	0.000	1	110.9850	0.000	1	111.6215	0.332	15	111.7304	0.380	18	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH)	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,4|C<3>,8|H<1>}	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH){3|C<4>,4|C<3>}	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH){3|C<4>,4|C<3>}	110.7710	0.463	4	110.7710	0.215	4	111.0596	0.185	10	111.0596	0.185	10	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH)	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	111.2520	0.306	6	111.2520	0.094	6	111.0596	0.185	10	111.0596	0.185	10	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[4]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[4]C[4]2H)(O[6]C[6])2(H)	O[6](C[6]C[4]O[6]H)2	O[6](C[6]C[4]O[6]H)2	C[6](C[4]C[4]2H)(O[6]C[6])2(H){1|O<2>,3|C<4>,6|H<1>}	O[6](C[6]C[4]O[6]H)2{2|H<1>,5|C<4>}	O[6](C[6]C[4]O[6]H)2{2|H<1>,5|C<4>}	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){4|H<1>,5|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	111.4365	0.310	2	111.4365	0.096	2	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	110.7450	0.612	4	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.6475	0.231	2	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|P<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.6650	0.000	1	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|I<1>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.6380	0.000	1	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	110.7715	1.177	2	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	110.9240	0.434	2	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){2|P<3>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	112.2290	0.000	1	111.1691	0.496	13	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|I<1>,3|C<4>,5|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.6680	0.000	1	111.3957	0.120	9	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.5115	0.132	2	111.3957	0.120	9	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){3|C<4>,6|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	111.3117	0.401	6	111.3957	0.120	9	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	111.2030	0.000	1	111.6117	0.242	3	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,3|H<1>,5|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	111.4750	0.000	1	111.6117	0.242	3	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	112.1570	0.000	1	111.6117	0.242	3	111.3136	0.313	27	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO)	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){2|H<1>,7|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO){6|C<4>}	110.6810	0.000	1	110.6810	0.000	1	111.2999	0.367	7	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	111.7500	0.000	1	111.4030	0.351	6	111.2999	0.367	7	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|S<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	110.8500	0.000	1	111.4030	0.351	6	111.2999	0.367	7	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	110.9350	0.000	1	111.4030	0.351	6	111.2999	0.367	7	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	111.6277	0.693	3	111.4030	0.351	6	111.2999	0.367	7	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH)	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H){4|C<4>,7|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	110.6600	0.000	1	110.6600	0.000	1	109.9760	0.618	3	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]2H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,5|C<4>,5|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]2H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO){1|O<2>,2|H<1>,3|C<4>}	110.1510	0.000	1	110.1510	0.000	1	109.9760	0.618	3	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)2	O[6](C[6]C[6]O[6]H)2	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,4|C<4>,6|H<1>}	O[6](C[6]C[6]O[6]H)2{2|H<1>,5|C<4>}	O[6](C[6]C[6]O[6]H)2{2|H<1>,5|C<4>}	109.1170	0.000	1	109.1170	0.000	1	109.9760	0.618	3	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:1:	4:4:	4:4:	P-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](PC[6a]C[6]O)(O[6]C[6])2(H)	O[6](C[6]C[6]HH)(C[6]O[6]HP)	O[6](C[6]C[6]HH)(C[6]O[6]HP)	C[6](PC[6a]C[6]O)(O[6]C[6])2(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HP){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HP){1|C<4>,2|H<1>}	112.6480	0.000	1	112.6480	0.000	1	112.6480	0.000	1	111.2099	0.524	39	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:4:	4:4:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH){1|C<3>,3|C<4>,6|H<1>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>}	110.2970	0.000	1	110.2970	0.000	1	111.5733	1.294	3	111.4117	0.766	6	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:4:	4:4:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.2115	0.380	2	112.2115	0.144	2	111.5733	1.294	3	111.4117	0.766	6	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:4:	4:4:	4:4:	C[5]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3)	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH)	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH)	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<4>}	110.8250	0.000	2	110.8250	0.000	2	110.8250	0.000	2	111.4117	0.766	6	110.5095	1.726	495	110.5757	1.523	842
466	622	622	6:SP3_SP3_SP3	C[6]	O[6]	O[6]	4:2:2:4:	4:4:	4:4:	C[6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C)	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3){4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	111.4117	0.766	6	110.5095	1.726	495	110.5757	1.523	842
466	622	643	0:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6a]	4:4:2:3:	4:3:	4:3:3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]O)	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.8590	0.000	1	111.5925	0.142	2	111.5925	0.142	2	111.5925	0.142	2	111.5925	0.142	2	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6a]C[6,6,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.3260	0.000	1	111.5925	0.142	2	111.5925	0.142	2	111.5925	0.142	2	111.5925	0.142	2	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6a]	3:4:2:2:	4:3:	4:3:3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2{2|O<2>,3|H<1>,6|C<3>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	107.8430	0.083	2	107.8430	0.007	2	107.8430	0.007	2	107.8430	0.007	2	107.8430	0.007	2	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[4x6]	O[6]	C[6,6,6a]	3:3:3:2:	4:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[5a,6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,7|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	112.0493	0.596	4	112.0493	0.355	4	112.0493	0.355	4	112.1298	0.301	8	112.1298	0.301	8	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[4x6]	O[6]	C[6,6,6a]	3:3:3:2:	4:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	112.2103	0.574	4	112.2103	0.329	4	112.2103	0.329	4	112.1298	0.301	8	112.1298	0.301	8	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:1:	4:2:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	110.9620	0.000	1	110.9620	0.000	1	110.6297	0.194	3	110.6297	0.194	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:1:	4:2:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	110.1300	0.000	1	110.1300	0.000	1	110.6297	0.194	3	110.6297	0.194	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:1:	4:2:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	110.7970	0.000	1	110.7970	0.000	1	110.6297	0.194	3	110.6297	0.194	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:1:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.7315	0.153	2	111.4670	0.222	3	111.4670	0.222	3	111.4670	0.222	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:1:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.9380	0.000	1	111.4670	0.222	3	111.4670	0.222	3	111.4670	0.222	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:4:	3:4:	3:4:3:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]C[6]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	106.9090	0.274	2	106.9090	0.075	2	106.9090	0.075	2	106.9090	0.075	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.6292	0.635	4	109.5262	0.303	6	109.4274	0.321	7	109.4274	0.321	7	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	109.6210	0.000	1	109.5262	0.303	6	109.4274	0.321	7	109.4274	0.321	7	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.0190	0.000	1	109.5262	0.303	6	109.4274	0.321	7	109.4274	0.321	7	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:2:4:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	108.8350	0.000	1	108.8350	0.000	1	109.4274	0.321	7	109.4274	0.321	7	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:3:2:	4:2:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6])	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	108.4970	0.226	2	108.4970	0.051	2	108.4970	0.051	2	108.4970	0.051	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:3:3:	3:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	105.6170	1.862	3	105.3420	2.615	4	105.3420	2.615	4	105.3420	2.615	4	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:3:3:	3:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	104.5170	0.000	1	105.3420	2.615	4	105.3420	2.615	4	105.3420	2.615	4	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:4:2:	4:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	105.2615	0.660	2	105.2615	0.435	2	105.2615	0.435	2	105.2615	0.435	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:4:3:	3:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	105.0573	0.692	3	105.0573	0.478	3	105.5705	1.372	4	105.5705	1.372	4	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:4:3:	3:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	107.1100	0.000	1	107.1100	0.000	1	105.5705	1.372	4	105.5705	1.372	4	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,4|C<3>}	111.0285	0.697	2	111.0285	0.485	2	109.4897	7.347	3	109.4897	7.347	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	106.4120	0.000	1	106.4120	0.000	1	109.4897	7.347	3	109.4897	7.347	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.0025	0.713	2	111.0025	0.509	2	109.1680	10.631	6	109.1680	10.631	6	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.4780	0.574	2	111.4780	0.330	2	109.1680	10.631	6	109.1680	10.631	6	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	105.0235	0.747	2	105.0235	0.559	2	109.1680	10.631	6	109.1680	10.631	6	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	106.0720	0.431	2	106.0720	0.186	2	106.0720	0.186	2	106.0720	0.186	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:3:	3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6])	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	106.4123	2.928	4	106.4123	8.571	4	105.6847	7.434	6	105.6847	7.434	6	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:2:3:	3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6])	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]2C[6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	104.2295	2.259	2	104.2295	5.104	2	105.6847	7.434	6	105.6847	7.434	6	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:4:2:	4:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.4413	0.405	3	110.4413	0.164	3	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.5500	0.000	1	109.5500	0.000	1	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.2950	0.000	1	110.2950	0.000	1	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	108.5725	0.726	2	108.5725	0.527	2	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	104.8248	0.938	5	105.7170	5.480	6	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	110.1780	0.000	1	105.7170	5.480	6	107.8935	7.132	13	107.8935	7.132	13	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:2:	3:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O){2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	107.9958	3.333	4	107.9958	11.109	4	107.9958	11.109	4	107.9958	11.109	4	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:3:	3:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	103.7830	0.000	1	103.8070	0.001	2	103.8070	0.001	2	103.8070	0.001	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:3:	3:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	103.8310	0.000	1	103.8070	0.001	2	103.8070	0.001	2	103.8070	0.001	2	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:3:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.7480	0.054	2	110.7480	0.003	2	110.4980	0.189	3	110.4980	0.189	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:3:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	109.9980	0.000	1	109.9980	0.000	1	110.4980	0.189	3	110.4980	0.189	3	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H)	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:4:2:	4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:C[6,6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6,6]C[6,6]C[6]){4|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	107.8302	6.999	73	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	2:3:3:2:	4:3:	4:3:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	3:2:3:2:	4:2:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6])	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	105.4865	0.170	2	105.4865	0.029	2	105.4865	0.029	2	105.4865	0.029	2	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	108.9940	0.140	2	108.9940	0.020	2	108.9940	0.020	2	108.9940	0.020	2	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	3:4:3:2:	4:3:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6]C[5a,6]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.2555	0.279	2	106.2555	0.078	2	106.2555	0.078	2	106.2555	0.078	2	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	106.6660	0.000	1	106.6660	0.000	1	106.6070	0.007	2	106.6070	0.007	2	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]O[6]){1|C<4>,2|O<2>,6|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.5480	0.000	1	106.5480	0.000	1	106.6070	0.007	2	106.6070	0.007	2	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2{2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	105.9785	0.687	2	105.9785	0.471	2	105.9785	0.471	2	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	105.8180	0.000	1	105.8180	0.000	1	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	107.3500	0.000	1	107.3500	0.000	1	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	105.4550	0.718	2	106.3227	0.786	14	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	106.4673	0.850	12	106.3227	0.786	14	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	105.5505	0.337	2	105.5505	0.114	2	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]2){2|C<4>,2|O<2>,5|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.7580	0.000	1	107.7580	0.000	1	106.3445	0.827	19	106.3096	0.780	21	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:2:3:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:3:2:	3:4:	4:3:3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){4|C<4>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>,4|C<4>}	105.6620	0.000	1	105.6620	0.000	1	105.6393	0.291	4	105.6393	0.291	4	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:3:2:	3:4:	4:3:3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|C<4>,3|H<1>}	104.9700	0.000	1	104.9700	0.000	1	105.6393	0.291	4	105.6393	0.291	4	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:3:2:	3:4:	4:3:3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	105.9625	0.465	2	105.9625	0.216	2	105.6393	0.291	4	105.6393	0.291	4	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]C[6a]N[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	106.2330	0.392	2	106.2330	0.153	2	106.2330	0.153	2	108.1612	5.080	4	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6])	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.0895	0.463	2	110.0895	0.215	2	110.0895	0.215	2	108.1612	5.080	4	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6,6]	O[6]	C[6a]	4:3:4:2:	4:3:	4:3:3:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H)	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	105.1780	0.000	1	106.6715	1.960	42	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:1:	3:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	108.6573	0.400	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:1:	3:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	108.4183	0.508	3	108.4183	0.258	3	108.4183	0.258	3	108.6573	0.400	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:1:	4:3:	4:3:3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:3:	3:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){2|H<1>,3|C<3>}	107.1005	1.002	2	107.1005	1.004	2	107.1005	1.004	2	107.1005	1.004	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:3:	4:3:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){2|H<1>,3|C<3>}	104.8575	0.278	2	104.8575	0.077	2	104.8575	0.077	2	104.8575	0.077	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:3:	4:3:	4:3:3:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O)	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O){4|C<3>}	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:2:4:	4:3:	4:3:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C){1|H<1>,3|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.8205	0.723	2	106.8205	0.523	2	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.0390	0.000	1	108.8360	1.268	12	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	110.2745	0.279	2	108.8360	1.268	12	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.3179	0.832	7	108.8360	1.268	12	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	110.5740	0.000	1	108.8360	1.268	12	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.6450	0.000	1	108.8360	1.268	12	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	109.5790	0.000	1	108.2750	3.401	2	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	106.9710	0.000	1	108.2750	3.401	2	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Br<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	110.4780	0.000	1	110.4780	0.000	1	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	108.2040	0.000	1	108.2040	0.000	1	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|N<2>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	111.4470	0.354	2	111.4470	0.125	2	108.8899	2.285	20	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	108.8665	0.572	2	108.8665	0.327	2	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.1610	0.000	1	106.1610	0.000	1	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	107.7800	0.000	1	107.7800	0.000	1	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2{1|C<4>,2|C<3>,3|H<1>}	108.2040	0.000	1	108.2040	0.000	1	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.5840	0.000	1	105.5840	0.000	1	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	107.3490	1.718	2	106.0383	6.387	4	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.8880	0.000	1	106.0383	6.387	4	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	102.5670	0.000	1	106.0383	6.387	4	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.9540	0.000	1	107.9540	0.000	1	107.0517	3.580	11	108.2377	3.440	31	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	102.1550	0.000	1	102.1550	0.000	1	103.7087	0.649	8	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	104.1340	0.496	2	104.3013	0.207	3	103.7087	0.649	8	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	104.6360	0.000	1	104.3013	0.207	3	103.7087	0.649	8	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	103.6495	0.636	2	103.6495	0.404	2	103.7087	0.649	8	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	103.6560	0.491	2	103.6560	0.241	2	103.7087	0.649	8	104.0913	1.885	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:4:	3:4:	3:4:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:4:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	106.0175	0.849	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:3:4:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	106.0175	0.849	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	3:4:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	107.0200	0.935	2	107.0200	0.874	2	107.0200	0.874	2	107.0200	0.874	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:2:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	107.9020	0.605	2	107.9020	0.366	2	108.9720	3.618	3	108.9720	3.618	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:2:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	111.1120	0.000	1	111.1120	0.000	1	108.9720	3.618	3	108.9720	3.618	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	108.4330	0.000	1	108.4330	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	105.9840	0.000	1	105.9840	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.0780	0.000	1	107.0780	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	105.9690	0.000	1	106.9745	2.022	2	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	107.9800	0.000	1	106.9745	2.022	2	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	109.1183	1.051	3	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.7790	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	106.9665	2.481	2	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	106.6100	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	106.8730	0.765	2	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	108.1610	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	106.7025	0.179	2	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.9950	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	107.8791	0.870	10	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.6460	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.6920	1.505	4	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.3640	0.000	1	107.7432	1.473	29	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.5010	0.045	2	106.5010	0.002	2	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.7650	0.000	1	108.7650	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.8747	0.372	3	109.0206	3.817	5	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.3430	0.000	1	109.0206	3.817	5	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.1360	0.000	1	109.0206	3.817	5	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	105.3150	0.000	1	105.3150	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	105.3060	0.000	1	107.9891	3.461	13	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|O<2>}	107.8508	0.673	5	107.9891	3.461	13	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	107.3270	1.701	2	107.9891	3.461	13	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.7633	3.033	3	107.9891	3.461	13	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.6770	0.788	2	107.9891	3.461	13	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	111.5610	0.000	1	111.5610	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	110.4770	0.000	1	110.4770	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,3|C<3>,3|H<1>}	112.1670	0.000	1	112.1670	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|H<1>,3|C<3>}	109.5415	0.504	2	109.5415	0.254	2	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	106.5890	0.000	1	106.5890	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	105.8640	0.000	1	105.8640	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:1:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	108.9710	0.000	1	108.9710	0.000	1	107.9805	2.783	64	107.9578	2.773	65	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.1270	1.028	2	106.1720	0.535	3	105.3625	1.424	6	105.3625	1.424	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.2620	0.000	1	106.1720	0.535	3	105.3625	1.424	6	105.3625	1.424	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	104.3620	0.000	1	105.0130	0.848	2	105.3625	1.424	6	105.3625	1.424	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	105.6640	0.000	1	105.0130	0.848	2	105.3625	1.424	6	105.3625	1.424	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:2:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	103.6330	0.000	1	103.6330	0.000	1	105.3625	1.424	6	105.3625	1.424	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:4:	3:4:	3:4:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:4:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	109.1560	0.000	1	109.1560	0.000	1	108.8253	0.399	3	108.8253	0.399	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:4:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	109.2230	0.000	1	109.2230	0.000	1	108.8253	0.399	3	108.8253	0.399	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:2:4:4:	3:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.0970	0.000	1	108.0970	0.000	1	108.8253	0.399	3	108.8253	0.399	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.7663	1.319	3	107.7663	1.740	3	109.3751	2.930	7	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	110.7717	0.196	3	110.7717	0.038	3	109.3751	2.930	7	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	110.0120	0.000	1	110.0120	0.000	1	109.3751	2.930	7	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	110.7260	0.000	1	109.0927	6.114	3	109.5292	3.524	5	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	110.3040	0.000	1	109.0927	6.114	3	109.5292	3.524	5	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	106.2480	0.000	1	109.0927	6.114	3	109.5292	3.524	5	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	110.6530	0.000	1	110.6530	0.000	1	109.5292	3.524	5	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	109.7150	0.000	1	109.7150	0.000	1	109.5292	3.524	5	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	110.5680	0.000	1	110.5680	0.000	1	111.0530	0.470	2	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.5380	0.000	1	111.5380	0.000	1	111.0530	0.470	2	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	3:4:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	109.5211	2.904	16	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	107.1940	0.000	1	107.1940	0.000	1	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	108.1080	0.000	1	107.6050	1.533	6	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	109.4730	0.000	1	107.6050	1.533	6	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	106.8830	1.077	3	107.6050	1.533	6	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.4000	0.000	1	107.6050	1.533	6	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	108.5180	0.000	1	108.5180	0.000	1	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]){6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.3400	0.000	1	107.3400	0.000	1	107.6313	1.092	9	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	107.0885	0.500	2	107.0885	0.250	2	107.5600	0.792	3	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.5030	0.000	1	108.5030	0.000	1	107.5600	0.792	3	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	107.3300	0.478	2	107.3300	0.228	2	107.3300	0.228	2	107.7023	1.015	15	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.4743	0.170	3	107.4262	0.028	4	107.4262	0.028	4	107.4262	0.028	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|O<2>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.2820	0.000	1	107.4262	0.028	4	107.4262	0.028	4	107.4262	0.028	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6])	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]C[6]){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	106.1620	1.314	2	106.1620	1.726	2	106.1620	1.726	2	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.9540	1.575	2	106.9540	2.482	2	106.9540	2.482	2	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	109.2840	0.184	2	109.2840	0.034	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,5|C<3>}	105.7415	0.138	2	105.7415	0.019	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	105.5310	2.639	2	105.5310	6.964	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	106.2473	1.070	4	106.2473	1.144	4	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]2C[6]){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.1105	2.775	2	106.1105	7.703	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.7840	0.383	2	108.7840	0.147	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	105.4110	0.129	2	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.2922	2.735	4	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.8440	3.947	2	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.9437	2.227	4	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	106.9655	4.385	2	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	106.5868	1.757	24	106.5650	3.978	38	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	106.2660	1.353	2	106.2660	1.832	2	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	107.3777	1.421	6	107.3777	2.020	6	106.7026	3.549	60	106.6936	3.401	64	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:3:	4:3:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.8567	0.797	3	108.8567	0.635	3	108.8567	0.635	3	107.2449	5.080	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	106.3665	4.180	2	106.3665	17.470	2	106.4390	5.535	6	107.2449	5.080	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS){1|O<2>,5|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	106.4753	1.843	4	106.4753	3.397	4	106.4390	5.535	6	107.2449	5.080	9	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]){6|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	105.1710	0.000	1	105.1710	0.000	1	106.5373	2.382	6	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	105.3630	0.000	1	105.3630	0.000	1	106.5373	2.382	6	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	107.5640	0.000	1	107.5640	0.000	1	106.5373	2.382	6	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	104.9180	0.000	1	104.9180	0.000	1	106.5373	2.382	6	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	108.1040	0.277	2	108.1040	0.077	2	106.5373	2.382	6	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:2:4:	4:3:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){7|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	107.1114	4.292	7	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2){1|C<4>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	105.6080	2.124	2	105.6080	4.512	2	105.6080	4.512	2	105.6490	2.947	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:3:2:	3:4:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6]){1|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	105.6900	2.079	2	105.6900	4.322	2	105.6900	4.322	2	105.6490	2.947	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	105.8980	0.000	1	105.8980	0.000	1	106.4385	2.102	4	106.4385	2.102	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	106.9280	0.000	1	106.6187	2.958	3	106.4385	2.102	4	106.4385	2.102	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:3:3:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){2|C<4>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	106.4640	2.403	2	106.6187	2.958	3	106.4385	2.102	4	106.4385	2.102	4	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	3:4:3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	109.1080	0.000	1	109.1080	0.000	1	108.2155	1.593	2	107.0702	2.275	5	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	3:4:3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	107.3230	0.000	1	107.3230	0.000	1	108.2155	1.593	2	107.0702	2.275	5	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	3:4:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	106.3067	1.252	3	106.3067	1.568	3	106.3067	1.568	3	107.0702	2.275	5	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	106.6865	1.978	2	107.3517	3.283	3	107.3517	3.283	3	107.3517	3.283	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	108.6820	0.000	1	107.3517	3.283	3	107.3517	3.283	3	107.3517	3.283	3	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){3|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	109.3680	0.000	1	109.3680	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	105.7720	0.000	1	106.2378	0.703	5	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.0720	0.246	2	106.2378	0.703	5	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	106.6365	1.470	2	106.2378	0.703	5	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.7210	0.000	1	107.7210	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	105.5265	0.571	2	105.5265	0.326	2	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.3280	0.000	1	108.3280	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.4110	0.000	1	107.4110	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.2473	0.623	3	107.2473	0.388	3	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	106.5620	0.000	1	106.5620	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.2810	0.000	1	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	106.5920	0.000	1	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.8355	0.508	2	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	107.4435	0.753	2	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	105.3700	0.000	1	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	110.1670	0.000	1	107.1210	2.075	8	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.2220	0.000	1	107.2220	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.8810	0.000	1	107.8810	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.2730	0.000	1	106.9465	3.519	2	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.6200	0.000	1	106.9465	3.519	2	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	111.0700	0.000	1	111.0700	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.8220	0.670	3	107.8242	0.290	5	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.8275	0.511	2	107.8242	0.290	5	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.2920	1.990	2	108.2920	3.959	2	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	107.3860	0.000	1	107.3860	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	111.2050	0.000	1	111.2050	0.000	1	107.4244	2.172	37	107.4244	2.172	37	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:2:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	104.5810	0.000	1	104.5810	0.000	1	105.7120	2.558	2	105.7120	2.558	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:2:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	106.8430	0.000	1	106.8430	0.000	1	105.7120	2.558	2	105.7120	2.558	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:2:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Ni)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:3:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	103.9160	0.000	1	103.9160	0.000	1	103.9160	0.000	1	103.9160	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:4:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	108.7855	2.703	2	108.7855	7.308	2	107.9597	2.728	6	107.9597	2.728	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:4:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	105.8660	0.000	1	105.8660	0.000	1	107.9597	2.728	6	107.9597	2.728	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:4:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	107.9110	0.000	1	107.9110	0.000	1	107.9597	2.728	6	107.9597	2.728	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:4:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.7230	0.000	1	107.7230	0.000	1	107.9597	2.728	6	107.9597	2.728	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:2:4:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.6870	0.000	1	108.6870	0.000	1	107.9597	2.728	6	107.9597	2.728	6	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	3:4:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C)	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C){1|Br<1>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	3:4:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	106.5405	0.226	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	3:4:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	106.5405	0.226	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:2:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	106.5605	0.460	4	106.2882	0.530	5	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.1990	0.000	1	106.2882	0.530	5	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0205	0.674	2	110.0205	0.454	2	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.4370	0.000	1	107.3521	1.170	8	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	107.3400	1.168	7	107.3521	1.170	8	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.7010	0.000	1	106.7010	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	106.8510	0.000	1	106.8510	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.9330	0.475	2	108.0830	2.280	3	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	106.3830	0.000	1	108.0830	2.280	3	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	106.4930	0.000	1	106.4930	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	107.2980	0.000	1	106.1805	2.498	2	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	105.0630	0.000	1	106.1805	2.498	2	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	106.4260	0.000	1	106.4260	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	106.9120	0.000	1	106.9120	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.8630	0.000	1	107.8630	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.0473	0.355	3	110.0473	0.126	3	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.9040	0.000	1	107.9040	0.000	1	107.5400	2.279	30	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.7470	0.000	1	107.7470	0.000	1	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	107.7380	0.000	1	107.7380	0.000	1	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	106.3380	0.000	1	106.3380	0.000	1	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	106.4050	0.000	1	106.9206	0.322	5	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.8985	0.110	2	106.9206	0.322	5	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	107.8540	0.000	1	106.9206	0.322	5	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.5470	0.000	1	106.9206	0.322	5	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.3900	0.000	1	106.3900	0.000	1	106.9796	0.404	9	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	103.8920	0.000	1	103.8920	0.000	1	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	106.6750	0.000	1	106.6750	0.000	1	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|C<2>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	106.6070	0.419	2	106.3350	0.310	3	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	105.7910	0.000	1	106.3350	0.310	3	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	106.0640	0.000	1	106.0640	0.000	1	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){1|C<2>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	105.8150	0.000	1	105.8150	0.000	1	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.2300	0.511	2	108.2300	0.261	2	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	104.5265	2.500	2	107.0248	9.083	5	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	107.8380	0.000	1	107.0248	9.083	5	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.1165	2.862	2	107.0248	9.083	5	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	106.4040	0.000	1	106.4040	0.000	1	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.9150	0.102	2	105.9150	0.010	2	106.5452	3.301	17	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Se<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	103.9590	0.000	1	103.9590	0.000	1	106.9857	6.896	3	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	108.3400	0.000	1	108.3400	0.000	1	106.9857	6.896	3	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	3:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	108.6580	0.000	1	108.6580	0.000	1	106.9857	6.896	3	107.1395	2.492	60	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	3:4:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.1090	0.000	1	106.1090	0.000	1	106.3530	0.119	2	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|I<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.5970	0.000	1	106.5970	0.000	1	106.3530	0.119	2	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6]){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	107.4380	0.000	1	107.4380	0.000	1	106.4847	0.873	3	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6])	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6]){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.0080	0.619	2	106.0080	0.384	2	106.4847	0.873	3	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	111.6990	0.000	1	111.6990	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.4710	0.000	1	106.4710	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.3400	0.000	1	107.3400	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.0236	1.424	5	111.0236	2.027	5	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	106.2853	1.022	3	106.2853	1.044	3	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	106.4520	0.000	1	106.4520	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	107.3450	0.000	1	107.3450	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	105.5610	0.000	1	105.5610	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	105.6665	0.982	2	105.6665	0.965	2	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	109.2480	2.903	2	109.2480	8.430	2	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	106.8840	0.000	1	106.2940	0.696	2	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	105.7040	0.000	1	106.2940	0.696	2	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	106.3380	0.000	1	106.3380	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:1:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	106.6480	0.000	1	106.6480	0.000	1	107.9202	5.920	22	107.6296	5.015	28	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|Cl<1>,1|O<2>,1|S<2>,5|C<3>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	106.3450	0.000	1	106.3450	0.000	1	106.6580	0.196	2	106.6580	0.196	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:2:	3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	106.9710	0.000	1	106.9710	0.000	1	106.6580	0.196	2	106.6580	0.196	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:4:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	110.5940	0.000	1	110.5940	0.000	1	110.5075	0.015	2	110.5075	0.015	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:2:4:	4:3:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.5075	0.015	2	110.5075	0.015	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP2	C[6]	O[6]	C[6a]	4:3:3:2:	4:3:	4:3:3:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	106.2090	0.834	2	106.2090	0.696	2	106.2090	0.696	2	106.2090	0.696	2	107.3822	3.583	413	107.4713	4.286	541
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6a]	3:3:3:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	105.4320	0.000	1	105.4320	0.000	1	105.4320	0.000	1	105.4320	0.000	1	107.9445	12.625	2	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6a]	4:3:2:1:	4:4:	3:4:3:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[5,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	107.9445	12.625	2	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:4:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	108.3585	1.058	10	108.3585	1.118	10	108.4700	1.218	22	108.6727	1.347	27	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:4:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	108.7500	0.458	2	108.5629	1.389	12	108.4700	1.218	22	108.6727	1.347	27	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:4:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	108.5255	1.290	10	108.5629	1.389	12	108.4700	1.218	22	108.6727	1.347	27	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	2:2:2:3:	4:4:	4:3:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[4x6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2)	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	109.5646	1.067	5	109.5646	1.139	5	109.5646	1.139	5	108.6727	1.347	27	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6])	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6]){7|C<3>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	102.5310	0.000	1	102.7037	0.197	10	102.7037	0.197	10	102.7037	0.197	10	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6])	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6]){7|C<3>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	102.7229	0.466	9	102.7037	0.197	10	102.7037	0.197	10	102.7037	0.197	10	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	3:4:2:3:	4:4:	4:3:3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a])	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a]){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6a]	4:4:2:3:	4:2:	4:3:3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6]2C[6a])(O[6,6]C[3x6])	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6,6](C[3x6]C[6,6]2C[6a])(O[6,6]C[3x6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	104.0975	0.054	2	104.0975	0.003	2	104.0975	0.003	2	104.0975	0.003	2	106.8830	7.853	41	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6a]	3:3:4:2:	4:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[3x6]-4:C[6]-4:	C[6,6a,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	108.3233	13.821	14	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6a]	3:3:4:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[3x6]-4:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH)	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	104.7570	0.000	1	108.3233	13.821	14	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6a]	3:4:2:2:	4:4:	3:4:3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|O<2>,3|C<4>,4|C<3>}	108.1909	4.239	8	108.1909	17.967	8	108.1909	17.967	8	108.4071	14.574	12	108.3233	13.821	14	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[3x6]	O[6]	C[6,6a]	3:4:2:2:	4:4:	3:4:3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:C[6]-4:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	108.8395	3.338	4	108.8395	11.141	4	108.8395	11.141	4	108.4071	14.574	12	108.3233	13.821	14	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[4x6]	O[6,6]	C[6,6a]	3:3:3:2:	4:2:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6])	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6]){7|C<3>}	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	99.9381	0.000	1	99.9381	0.000	1	99.9381	0.000	1	99.9381	0.000	1	99.9381	0.000	1	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6a]	3:2:3:2:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.9680	0.229	2	107.9680	0.052	2	107.9680	0.052	2	107.9680	0.052	2	107.3133	1.312	3	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6a]	4:2:3:3:	4:4:	4:3:3:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2)	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2){5|C<3>,5|H<1>}	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	107.3133	1.312	3	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:2:3:2:	4:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6]C[6]2){1|O<1>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,4|C<3>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	106.4555	0.479	2	106.7770	0.496	4	106.7770	0.496	4	108.1978	6.572	6	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	107.0985	0.920	2	106.7770	0.496	4	106.7770	0.496	4	108.1978	6.572	6	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.1978	6.572	6	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.9300	0.000	1	112.9300	0.000	1	112.9300	0.000	1	108.1978	6.572	6	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:2:	4:4:	3:4:3:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	105.3590	0.000	2	105.3590	0.000	2	105.3590	0.000	2	105.3590	0.000	2	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	106.0125	1.459	2	106.0125	2.128	2	106.0125	2.128	2	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	111.6190	0.000	1	112.4433	0.633	3	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	113.2070	0.000	1	112.4433	0.633	3	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.5040	0.000	1	112.4433	0.633	3	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.5270	0.000	1	105.5270	0.000	1	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	105.5770	0.000	1	108.7140	19.682	2	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	111.8510	0.000	1	108.7140	19.682	2	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.2420	0.000	1	106.2420	0.000	1	109.5039	12.429	7	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.3757	1.386	3	107.0443	3.068	4	107.0443	3.068	4	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	109.0500	0.000	1	107.0443	3.068	4	107.0443	3.068	4	108.2099	9.393	13	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	112.2650	0.517	3	112.2650	0.267	3	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	112.8760	0.000	1	112.4220	0.412	2	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	111.9680	0.000	1	112.4220	0.412	2	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	108.5080	0.184	2	108.5080	0.034	2	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	107.8010	0.069	2	107.8010	0.005	2	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	112.1790	0.161	3	111.6873	3.561	9	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.1700	0.000	1	111.6873	3.561	9	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	110.8918	2.796	4	111.6873	3.561	9	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	112.9120	0.000	1	111.6873	3.561	9	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.4730	0.000	1	109.4730	0.000	1	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.8800	0.000	1	112.8800	0.000	1	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.2820	0.000	1	110.2820	0.000	1	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.0900	0.000	1	109.9710	12.688	4	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	113.1190	0.000	1	109.9710	12.688	4	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	105.8870	0.000	1	109.9710	12.688	4	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	112.7880	0.000	1	109.9710	12.688	4	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	110.9103	0.329	3	110.9103	0.108	3	110.8819	4.592	28	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	110.8108	4.658	30	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:2:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	107.4420	0.071	2	107.4420	0.005	2	107.4420	0.005	2	107.4420	0.005	2	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:2:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:3:2:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	108.3560	0.000	1	108.3560	0.000	1	107.3255	2.124	2	107.3255	2.124	2	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:3:2:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,4|H<1>}	106.2950	0.000	1	106.2950	0.000	1	107.3255	2.124	2	107.3255	2.124	2	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:3:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:Si[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]C[6])(Si[6]O[6]CC){1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>,4|O<2>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	4:3:2:1:	4:4:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	109.3947	7.470	60	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	2:3:3:2:	4:4:	4:3:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH){6|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	111.2580	0.103	2	111.2580	0.011	2	111.2580	0.011	2	111.2580	0.011	2	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	3:4:3:2:	4:4:	4:3:3:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN){1|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	107.6790	0.000	1	107.6790	0.000	1	109.0223	2.837	3	109.0223	2.837	3	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.6940	1.723	2	109.6940	2.967	2	109.0223	2.837	3	109.0223	2.837	3	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[3x6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6])	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6])	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6]){11|C<3>,3|H<1>}	O[6](C[5,6]C[5,6,6a]C[5,6a]H)(C[6,6]C[3x6]C[6a]N[6]){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	105.2970	3.705	2	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	103.9360	0.000	1	103.9360	0.000	1	103.9360	0.000	1	105.2970	3.705	2	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:4:2:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6]){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	105.0280	0.000	1	105.0280	0.000	1	108.3985	22.721	2	108.3985	22.721	2	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6,6]	O[6]	C[6a]	4:3:4:2:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,4|C<3>,9|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,5|H<1>}	111.7690	0.000	1	111.7690	0.000	1	108.3985	22.721	2	108.3985	22.721	2	108.6337	7.732	11	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:2:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6])	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.2310	0.000	1	106.2310	0.000	1	104.3480	7.091	2	104.3480	7.091	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:2:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(O[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	102.4650	0.000	1	102.4650	0.000	1	104.3480	7.091	2	104.3480	7.091	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.2445	1.529	2	108.4068	1.175	4	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.5690	1.039	2	108.4068	1.175	4	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.8877	0.399	3	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.2300	2.359	2	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	106.4140	0.000	1	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.0365	1.315	2	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.4220	0.000	1	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.5388	2.217	6	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	108.8120	0.000	1	108.5673	3.434	16	108.5352	2.901	20	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.3570	0.000	1	109.3570	0.000	1	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.7225	1.319	4	108.7225	1.740	4	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	106.3580	0.000	2	108.4820	2.281	9	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.5520	0.000	1	108.4820	2.281	9	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.4640	0.000	1	108.4820	2.281	9	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.0230	0.000	1	108.4820	2.281	9	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.3957	0.763	4	108.4820	2.281	9	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.9870	0.000	1	110.9870	0.000	1	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.9493	2.139	3	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.5350	0.000	1	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.9480	0.000	1	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.7970	0.872	3	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.3980	0.000	1	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.1546	1.747	7	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.4275	1.654	2	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.8617	0.409	3	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.9368	1.098	31	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.1450	0.000	1	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.7745	0.419	2	108.8251	1.538	55	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.6570	0.000	1	107.6570	0.000	1	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.0870	0.000	1	109.0870	0.000	1	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.4560	0.000	1	109.0385	0.349	2	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.6210	0.000	1	109.0385	0.349	2	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.7870	1.695	6	108.7870	2.874	6	108.8062	1.630	80	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	107.3505	2.644	4	107.3505	6.993	4	108.0482	5.806	8	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	108.7460	2.293	4	108.7460	5.256	4	108.0482	5.806	8	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	108.3190	0.000	1	108.3190	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.1690	0.000	1	107.6494	1.635	7	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	107.7295	1.381	6	107.6494	1.635	7	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.0555	1.651	2	109.2926	1.278	12	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.3765	0.936	8	109.2926	1.278	12	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.1940	1.252	2	109.2926	1.278	12	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H){1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	109.7820	0.000	1	109.7820	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.9230	1.056	2	108.9230	1.116	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.5408	2.111	5	108.7900	1.474	68	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.8151	1.149	62	108.7900	1.474	68	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.4790	0.000	1	108.7900	1.474	68	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.5750	0.000	1	109.5750	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	109.6283	0.308	3	109.6283	0.095	3	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.0120	0.000	1	111.0120	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.4890	0.000	1	109.1290	0.259	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.7690	0.000	1	109.1290	0.259	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.6240	0.000	1	109.0060	0.764	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.3880	0.000	1	109.0060	0.764	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.8550	0.191	2	109.8550	0.036	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.0433	1.355	4	108.0433	1.835	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.1620	0.284	2	108.1620	0.081	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,2|C<4>}	108.7305	0.924	2	108.7305	0.854	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.2246	1.528	12	108.4839	2.708	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	109.2618	1.975	4	108.4839	2.708	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.0080	0.038	2	110.0080	0.001	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	106.7570	0.000	1	106.7570	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	108.4790	1.724	2	108.4790	2.972	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	109.3130	0.000	1	109.3130	0.000	1	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	107.4220	3.070	2	107.4220	9.426	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.4740	0.000	1	109.6905	0.933	6	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.2900	0.000	1	109.6905	0.933	6	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.0695	1.404	2	109.6905	0.933	6	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.1200	0.632	2	109.6905	0.933	6	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){1|N<2>,2|C<3>,2|C<4>,2|O<2>}	108.1227	2.248	4	108.1227	5.052	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	108.4600	1.192	2	108.4600	1.421	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H){1|H<1>,2|C<3>,2|C<4>}	108.5780	0.372	2	108.5780	0.138	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	108.2292	1.404	4	108.5168	1.291	8	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.6250	0.955	2	108.5168	1.291	8	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.9835	1.193	2	108.5168	1.291	8	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.8230	0.491	2	108.8230	0.241	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	107.7122	0.845	4	107.7122	0.715	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	108.3995	0.617	4	108.3995	0.381	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.6345	1.231	2	108.6345	1.516	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.6545	0.409	2	108.5092	0.806	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.3640	1.472	2	108.5092	0.806	4	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.3900	0.940	2	108.3900	0.884	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.6245	0.924	2	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.2145	1.466	2	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.0530	1.351	6	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.8210	0.000	1	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	110.6073	1.070	3	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	109.8195	0.090	2	109.3924	1.432	16	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|P<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	108.4740	0.359	2	108.4740	0.129	2	108.7709	1.590	192	108.7453	1.784	300	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	3:4:2:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	109.3445	0.327	2	109.3445	0.107	2	109.3445	0.107	2	109.3445	0.107	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:1:	4:4:	4:3:2:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:4:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	112.9975	0.403	4	112.9975	0.163	4	111.8240	2.064	28	111.8240	2.064	28	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:4:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	111.4408	0.719	4	111.4408	0.517	4	111.8240	2.064	28	111.8240	2.064	28	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:4:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	111.4460	1.939	12	111.6659	2.478	20	111.8240	2.064	28	111.8240	2.064	28	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:4:	4:4:	3:3:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,4|C<4>}	111.9958	0.783	8	111.6659	2.478	20	111.8240	2.064	28	111.8240	2.064	28	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:2:4:	4:4:	3:4:2:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	111.6170	0.485	2	111.6170	0.235	2	111.6170	0.235	2	111.6170	0.235	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:3:1:	4:4:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[4,6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	105.0540	0.279	2	105.0540	0.078	2	105.0540	0.078	2	104.1897	2.280	3	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:2:3:1:	4:4:	4:3:3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	102.4610	0.000	1	102.4610	0.000	1	102.4610	0.000	1	104.1897	2.280	3	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:2:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	O[6](C[6]C[6a]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	104.1270	0.000	1	104.1270	0.000	1	104.1270	0.000	1	104.1270	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	107.6550	0.000	1	107.6550	0.000	1	108.3493	4.774	3	108.3493	4.774	3	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	110.7970	0.000	1	110.7970	0.000	1	108.3493	4.774	3	108.3493	4.774	3	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	106.5960	0.000	1	106.5960	0.000	1	108.3493	4.774	3	108.3493	4.774	3	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	111.7930	0.000	1	111.7930	0.000	1	109.2160	3.081	4	108.8448	3.000	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	108.3570	0.441	3	108.3570	0.194	3	109.2160	3.081	4	108.8448	3.000	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	3:4:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	108.8448	3.000	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.9120	0.000	1	109.1997	3.205	3	109.4488	6.929	6	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.1630	0.000	1	109.1997	3.205	3	109.4488	6.929	6	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.5240	0.000	1	109.1997	3.205	3	109.4488	6.929	6	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.8530	0.000	2	111.8530	0.000	2	109.4488	6.929	6	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.3880	0.000	1	105.3880	0.000	1	109.4488	6.929	6	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	111.1090	0.000	1	111.1090	0.000	1	109.1920	18.009	3	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	112.1390	0.000	1	112.1390	0.000	1	109.1920	18.009	3	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	104.3280	0.000	1	104.3280	0.000	1	109.1920	18.009	3	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	111.4900	0.000	1	108.5595	17.176	2	107.2251	3.890	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	105.6290	0.000	1	108.5595	17.176	2	107.2251	3.890	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.0410	0.000	1	106.0410	0.000	1	107.2251	3.890	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	106.6525	0.108	2	106.6525	0.012	2	107.2251	3.890	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H){1|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	107.0555	0.689	2	107.0555	0.475	2	107.2251	3.890	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	108.4530	0.440	2	108.4530	0.193	2	108.4530	0.193	2	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	104.3180	0.605	2	104.0303	0.431	3	107.8357	13.305	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	103.4550	0.000	1	104.0303	0.431	3	107.8357	13.305	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	110.4290	1.458	2	110.7770	1.426	3	107.8357	13.305	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	111.4730	0.000	1	110.7770	1.426	3	107.8357	13.305	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	110.4280	0.000	1	110.4280	0.000	1	107.8357	13.305	7	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH){2|C<3>,4|C<4>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	108.7497	0.310	3	108.7497	0.096	3	110.2710	3.022	9	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.9470	0.000	1	112.0708	0.162	4	110.2710	3.022	9	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	112.3905	0.006	2	112.0708	0.162	4	110.2710	3.022	9	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){2|C<3>,4|C<4>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	111.5550	0.000	1	112.0708	0.162	4	110.2710	3.022	9	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.9535	0.360	2	108.9535	0.130	2	110.2710	3.022	9	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	106.9260	0.000	1	106.9260	0.000	1	107.2560	0.218	2	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:1:	4:4:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	107.5860	0.000	1	107.5860	0.000	1	107.2560	0.218	2	108.7763	7.385	39	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5830	0.000	2	111.5830	0.000	2	111.5830	0.000	2	108.9496	8.106	40	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,4|C<3>,8|H<1>}	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH){3|C<4>,4|C<3>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.7943	2.973	15	108.7943	8.840	15	108.8111	8.149	38	108.9496	8.106	40	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.8220	2.843	23	108.8220	8.080	23	108.8111	8.149	38	108.9496	8.106	40	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6])	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6]){2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	101.5450	0.000	1	101.5450	0.000	1	101.5450	0.000	1	101.5450	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	110.2788	8.821	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.2285	0.678	2	112.2003	0.232	3	112.2003	0.232	3	110.2788	8.821	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.1440	0.000	1	112.2003	0.232	3	112.2003	0.232	3	110.2788	8.821	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:2:4:	4:4:	4:3:3:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	110.2788	8.821	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	C[6a]-3:C[6a]-3:B[6]-3:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6])	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC)	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC){2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	106.7090	2.118	2	106.7090	4.488	2	106.7090	4.488	2	107.4621	6.739	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[3x6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	O[6](C[3x6]C[3x6]2O[6])(C[6]N[5a,6]C[6a]2){1|N<2>,2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	108.9620	3.166	2	108.9620	10.026	2	108.9620	10.026	2	107.4621	6.739	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H){1|N<2>,7|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	108.1940	1.363	2	108.1940	1.859	2	107.2132	8.026	6	107.4621	6.739	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:3:3:2:	4:4:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	106.7227	3.434	4	106.7227	11.794	4	107.2132	8.026	6	107.4621	6.739	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.7743	1.196	6	105.5744	1.203	9	105.5744	1.203	9	105.5744	1.203	9	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	3:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.1747	0.938	3	105.5744	1.203	9	105.5744	1.203	9	105.5744	1.203	9	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:Ge[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	O[6](C[6]C[6a]C[6]H)(Ge[6]N[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(Ge[6]N[6]){1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Ge<2>,3|C<3>,3|H<1>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.1625	1.787	2	107.1625	3.193	2	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.6913	0.804	3	107.0780	1.935	4	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.2380	0.000	1	107.0780	1.935	4	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	106.5550	0.000	1	106.5550	0.000	1	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	107.5940	0.000	1	107.5940	0.000	1	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:3:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	107.9470	0.161	2	107.9470	0.026	2	107.2680	1.192	10	107.2680	1.192	10	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	3:4:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.7615	2.399	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	3:4:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	107.7615	2.399	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	3:4:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	105.5200	0.000	1	105.5200	0.000	1	107.2265	5.824	2	107.7615	2.399	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	3:4:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	108.9330	0.000	1	108.9330	0.000	1	107.2265	5.824	2	107.7615	2.399	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.4700	0.525	2	107.4700	0.275	2	107.4700	0.275	2	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.5220	0.465	2	106.5220	0.216	2	106.8303	0.246	4	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.4050	0.000	1	107.4050	0.000	1	106.8303	0.246	4	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.8720	0.000	1	106.8720	0.000	1	106.8303	0.246	4	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.9620	0.000	1	109.9620	0.000	1	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	108.9300	0.000	1	108.9300	0.000	1	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.5920	0.522	2	106.5920	0.272	2	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	109.3990	0.000	1	109.3990	0.000	1	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	108.6340	0.610	4	108.6340	0.372	4	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.8000	1.180	3	108.8000	1.393	3	108.5343	1.356	12	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	107.4710	0.000	1	107.4710	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	104.1480	0.000	1	104.1480	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.8890	0.000	1	110.8890	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.9820	0.000	1	106.9820	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	106.3213	0.396	4	106.3213	0.157	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	106.4400	0.000	2	106.4400	0.000	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.0815	0.594	4	107.4568	0.781	11	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)2{2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	107.8535	1.134	4	107.4568	0.781	11	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.4375	1.303	2	107.4568	0.781	11	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.4100	0.000	1	107.4568	0.781	11	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.4270	0.000	1	106.4270	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.1420	0.000	1	107.8710	0.401	3	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.3240	0.000	1	107.8710	0.401	3	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.1470	0.000	1	107.8710	0.401	3	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.8955	0.504	2	106.8955	0.254	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.6160	0.000	1	108.6160	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.4770	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.4320	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.3280	0.294	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.9160	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	109.1670	0.085	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.8250	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.1540	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.8455	0.094	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.6620	0.407	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.3390	0.000	1	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	109.0330	0.000	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.9860	1.099	2	108.2881	0.901	18	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.4600	0.000	1	107.4600	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.2900	0.000	1	108.0485	0.626	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{4|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.5175	0.763	2	108.0485	0.626	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.8690	0.000	1	108.0485	0.626	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	108.6300	0.000	1	108.6300	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<4>,2|C<4>,2|H<1>}	106.0710	0.000	1	106.0710	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.9200	0.103	2	109.9200	0.011	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.0620	0.000	1	108.4197	0.465	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.5390	0.783	3	108.4197	0.465	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.6730	0.226	2	106.6730	0.051	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.2540	0.000	1	108.2540	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HS){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	106.7700	2.452	2	106.7700	6.014	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	109.1220	0.000	1	109.1220	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|C<4>,3|H<1>}	107.3190	0.000	1	107.3190	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H){2|F<1>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.3670	0.000	1	108.3670	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<4>,3|H<1>}	107.1990	0.000	1	107.1990	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.0880	0.000	1	109.8205	0.143	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.5530	0.000	1	109.8205	0.143	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.5108	1.244	4	109.5108	1.548	4	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.4115	0.756	2	109.4115	0.571	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.9630	0.000	1	108.9630	0.000	1	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	106.9700	0.981	2	106.9700	0.963	2	107.9208	1.730	79	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O){1|N<2>,3|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.3215	1.070	2	106.3215	1.145	2	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O){2|C<3>,5|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	107.2830	0.000	1	107.2830	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.8300	0.617	2	106.8300	0.380	2	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.8880	0.000	1	106.8880	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	105.1120	0.000	1	105.1120	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,1|P<4>,3|C<4>}	105.4390	0.000	1	106.2016	0.336	5	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.3923	0.453	4	106.2016	0.336	5	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.4250	0.000	1	106.4250	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	107.0600	0.000	1	107.0600	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	108.7532	0.839	6	108.7532	0.705	6	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	105.4910	0.000	1	105.4910	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,1|P<4>,3|H<1>}	110.6440	0.000	1	110.6440	0.000	1	107.2151	2.263	22	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:1:	4:4:	4:3:3:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.9505	0.992	2	107.9505	0.984	2	107.9505	0.984	2	107.8140	1.808	122	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:2:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6])	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:2:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O){1|C<4>,1|S<3>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.4534	0.955	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:2:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	105.9480	0.000	1	106.7640	1.332	2	107.3872	1.245	4	107.4534	0.955	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:2:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	107.5800	0.000	1	106.7640	1.332	2	107.3872	1.245	4	107.4534	0.955	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:2:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH){1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	108.0105	0.921	2	108.0105	0.849	2	107.3872	1.245	4	107.4534	0.955	5	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:3:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	O[6](C[6]C[6a]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(O[6]C[6]){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	101.8660	0.000	1	101.8660	0.000	1	103.8685	8.020	2	103.8685	8.020	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:2:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6])	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,4|H<1>}	105.8710	0.000	1	105.8710	0.000	1	103.8685	8.020	2	103.8685	8.020	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	105.9035	0.189	2	105.9035	0.036	2	105.8618	0.341	6	105.8618	0.341	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	104.9500	0.000	1	104.9500	0.000	1	105.8618	0.341	6	105.8618	0.341	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.7440	0.000	1	106.1380	0.303	3	105.8618	0.341	6	105.8618	0.341	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:2:4:	4:4:	4:3:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.3350	0.611	2	106.1380	0.303	3	105.8618	0.341	6	105.8618	0.341	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	3:4:4:2:	4:4:	4:3:3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	105.3380	0.000	1	105.3380	0.000	1	105.3380	0.000	1	105.3380	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:2:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	O[6](C[6]C[6a]C[6]H)(O[6]C[6,6])	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	104.9130	0.880	2	104.9130	0.774	2	104.9130	0.774	2	104.9130	0.774	2	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	3:4:3:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H)	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.6018	3.478	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	3:4:3:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	107.4320	0.000	1	107.4320	0.000	1	107.4320	0.000	1	108.6018	3.478	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	3:4:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:B[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	108.6018	3.478	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	3:4:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	108.6018	3.478	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	107.7460	0.000	1	107.7460	0.000	1	107.2910	0.414	2	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]H){1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	106.8360	0.000	1	106.8360	0.000	1	107.2910	0.414	2	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	108.6030	0.000	1	108.6030	0.000	1	107.8255	1.209	2	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.0480	0.000	1	107.0480	0.000	1	107.8255	1.209	2	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	109.3240	0.000	1	109.3240	0.000	1	108.4567	0.644	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	107.8450	0.000	1	107.8450	0.000	1	108.4567	0.644	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	108.3290	0.880	2	108.3290	0.774	2	108.4567	0.644	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]Cr)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]Cr)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	106.0120	0.000	1	106.0120	0.000	1	108.0787	1.998	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]Mo)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]Mo)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	108.5660	0.235	2	108.5660	0.055	2	108.0787	1.998	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]W)(C[6]C[5,6]C[6a]H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]W)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	109.1710	0.000	1	109.1710	0.000	1	108.0787	1.998	4	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.7480	0.000	1	109.7480	0.000	1	107.8528	1.586	5	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	106.3880	0.000	1	106.3880	0.000	1	107.8528	1.586	5	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){1|H<1>,4|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.0035	0.163	2	107.7093	0.273	3	107.8528	1.586	5	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	107.1210	0.000	1	107.7093	0.273	3	107.8528	1.586	5	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	106.1780	0.000	1	106.1780	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	107.3670	0.000	1	107.3670	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	108.2300	0.000	1	108.2300	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	104.3015	0.992	2	104.3015	0.984	2	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	104.5830	0.385	2	104.5830	0.148	2	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.9400	0.000	1	109.9400	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	106.4760	0.000	1	106.4760	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.8210	0.000	1	106.5231	6.111	7	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	103.0880	0.156	2	106.5231	6.111	7	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	107.6662	0.919	4	106.5231	6.111	7	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.1190	0.000	1	108.1190	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	107.8450	0.000	1	107.8450	0.000	1	106.5326	4.407	18	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:Si[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H){2|H<1>,8|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	108.5080	0.000	1	108.5080	0.000	1	108.5080	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	105.8840	1.790	2	105.8840	3.206	2	105.8840	3.206	2	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	108.0590	0.000	1	108.0590	0.000	1	107.8953	0.707	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.6420	0.000	1	108.6420	0.000	1	107.8953	0.707	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	106.9850	0.000	1	106.9850	0.000	1	107.8953	0.707	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.5020	0.000	1	107.5020	0.000	1	107.2330	0.909	7	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.1882	1.036	6	107.1882	1.074	6	107.2330	0.909	7	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	109.8093	0.708	3	109.8093	0.501	3	109.8093	0.501	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.7990	0.000	1	107.7990	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	107.6720	0.000	1	107.6720	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	108.8953	0.475	3	108.8953	0.226	3	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.1210	0.000	2	107.4760	0.168	4	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.8310	0.000	2	107.4760	0.168	4	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	108.0520	0.000	1	108.0520	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	109.4310	0.000	1	109.4310	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	103.4220	0.000	1	107.7523	14.511	3	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	109.9175	0.945	2	107.7523	14.511	3	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	107.3120	0.000	1	107.3120	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.8830	0.000	1	109.8830	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H){1|H<1>,7|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	107.8495	0.979	2	107.8495	0.959	2	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	109.1700	0.000	1	109.1700	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.0025	0.455	2	109.0025	0.207	2	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|C<3>,2|C<4>,3|H<1>}	108.6440	0.000	1	108.6440	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){5|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.9530	0.000	1	108.9530	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.4050	0.000	1	109.4050	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.5920	0.000	1	108.5920	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.3591	1.752	27	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	N[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H){1|P<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|Ru<8>,1|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	109.4660	0.000	1	109.4660	0.000	1	111.4417	3.095	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	112.0200	0.000	1	112.4295	0.335	2	111.4417	3.095	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:1:	4:4:	4:3:3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	112.8390	0.000	1	112.4295	0.335	2	111.4417	3.095	3	107.8952	3.068	86	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	106.0185	1.118	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	106.4120	0.666	2	106.4120	0.444	2	106.4120	0.444	2	106.0185	1.118	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:2:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O){1|Ru<10>,1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	104.5550	0.000	1	104.5550	0.000	1	104.5550	0.000	1	106.0185	1.118	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.4860	0.000	1	107.4860	0.000	1	108.5717	3.974	6	108.5717	3.974	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	111.9180	0.000	1	111.9180	0.000	1	108.5717	3.974	6	108.5717	3.974	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.7600	0.000	2	108.0065	2.072	4	108.5717	3.974	6	108.5717	3.974	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:3:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.2530	0.000	2	108.0065	2.072	4	108.5717	3.974	6	108.5717	3.974	6	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:2:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6])	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	110.6710	0.338	2	109.9496	0.479	5	107.9110	12.455	7	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	109.3705	0.105	2	109.9496	0.479	5	107.9110	12.455	7	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	109.6650	0.000	1	109.9496	0.479	5	107.9110	12.455	7	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	102.6070	0.000	1	102.8145	0.086	2	107.9110	12.455	7	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:2:4:	4:4:	4:3:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	103.0220	0.000	1	102.8145	0.086	2	107.9110	12.455	7	108.1609	11.176	8	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6])	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O)	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O){1|Ru<10>,1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|Ru<10>,2|H<1>,3|C<3>,3|C<4>}	104.3390	5.059	2	104.3390	25.590	2	104.3390	25.590	2	106.4848	15.635	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	0:SP3_SP2_SP3	C[6]	O[6]	C[6a]	4:3:3:2:	4:4:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:B[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6])	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6]){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC){2|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	108.6305	1.702	2	108.6305	2.897	2	108.6305	2.897	2	106.4848	15.635	4	108.3972	4.087	719	108.3816	4.930	851
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	107.7240	0.968	5	107.7240	0.937	5	107.7240	0.937	5	107.7762	0.411	11	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	107.8090	0.000	1	107.8090	0.000	1	107.8197	0.068	6	107.7762	0.411	11	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	107.7073	0.159	4	107.8218	0.085	5	107.8197	0.068	6	107.7762	0.411	11	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	108.2800	0.000	1	107.8218	0.085	5	107.8197	0.068	6	107.7762	0.411	11	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:4:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:4:	4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]O)	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	107.3040	0.109	2	107.3040	0.012	2	107.3040	0.012	2	107.3040	0.012	2	107.5969	0.505	14	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[3x6]	O[6]	C[6,6a]	3:4:4:2:	4:3:	3:4:3:	C[6,6a]-3:C[3x6]-4:C[3x6]-4:O[6]-2:	C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a])	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	O[6](C[3x6]C[6,6a]C[3x6]2)(C[6,6a]C[6,6a]C[6a]){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[4x6]	O[6]	C[3x6,6a]	3:3:3:2:	4:3:	3:4:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[5a,6]-3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[5a,6]C[5a,6]C[5a]){1|H<1>,1|S<2>,7|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a]){1|H<1>,1|O<2>,1|S<2>,7|C<3>}	115.7535	0.049	2	115.7535	0.002	2	115.7535	0.002	2	115.4820	0.104	4	115.4820	0.104	4	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[4x6]	O[6]	C[3x6,6a]	3:3:3:2:	4:3:	3:4:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6a]-3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	O[6](C[4x6]C[3x6,6a]C[6,6,6a]2)(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	115.2105	0.121	2	115.2105	0.015	2	115.2105	0.015	2	115.4820	0.104	4	115.4820	0.104	4	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6,6]	C[6,6a]	3:2:4:1:	4:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6,6a]	3:2:3:2:	3:4:	3:3:4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	111.5535	0.218	2	111.5535	0.048	2	111.5535	0.048	2	111.5535	0.048	2	111.3708	1.122	5	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6,6a]	3:4:2:1:	4:3:	3:3:4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H){2|C<4>,2|H<1>,4|C<3>}	111.9640	1.123	2	111.9640	1.261	2	111.9640	1.261	2	111.9640	1.261	2	111.3708	1.122	5	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	111.3708	1.122	5	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:3:2:	4:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	110.2127	1.907	6	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:2:4:2:	4:3:	3:4:3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.1315	0.401	2	111.1315	0.161	2	111.1315	0.161	2	111.1315	0.161	2	110.2127	1.907	6	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]2C[6,6]){1|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	110.2127	1.907	6	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:4:2:	4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.2350	0.000	1	108.2350	0.000	1	108.9495	1.021	2	108.9495	1.021	2	110.2127	1.907	6	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6,6]	O[6]	C[6,6a]	3:4:4:2:	4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	109.6640	0.000	1	109.6640	0.000	1	108.9495	1.021	2	108.9495	1.021	2	110.2127	1.907	6	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	111.8190	0.000	1	111.8190	0.000	1	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	112.0730	0.000	1	112.0730	0.000	1	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	110.3910	0.431	2	110.3910	0.186	2	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,6|C<3>}	113.0113	0.196	4	112.2109	0.761	10	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){7|C<3>}	111.6773	0.703	6	112.2109	0.761	10	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){1|C<4>,4|C<3>}	110.7067	0.482	4	111.7588	7.042	14	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	114.6788	3.721	4	111.7588	7.042	14	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	110.5135	0.544	6	111.7588	7.042	14	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	112.3570	0.000	1	112.3570	0.000	1	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH){2|H<1>,3|C<3>}	110.6060	0.000	1	110.6060	0.000	1	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH){2|H<1>,3|C<3>}	109.6980	0.016	2	109.6980	0.000	2	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	109.6700	0.000	1	110.8025	1.213	8	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	110.7820	0.274	5	110.8025	1.213	8	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,2|C<3>,2|O<2>}	113.1730	0.000	1	110.8025	1.213	8	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,4|C<3>}	109.6670	0.000	1	110.8025	1.213	8	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){1|C<4>,4|C<3>}	110.5485	0.279	2	111.0467	0.210	6	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	111.2957	0.274	4	111.0467	0.210	6	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	113.9590	0.000	1	113.9590	0.000	1	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	110.3420	0.353	3	110.3420	0.124	3	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	110.5545	0.172	2	110.5545	0.030	2	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	109.9590	0.486	5	109.9590	0.236	5	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	114.3545	0.795	2	114.3545	0.633	2	111.3739	2.950	59	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){2|H<1>,5|C<3>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	111.4161	3.002	62	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH){1|O<1>,1|O<2>,3|C<3>}	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	110.4263	0.911	3	110.4263	0.830	3	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	112.8690	0.000	1	112.8690	0.000	1	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<4>,2|C<3>,2|H<1>}	110.8680	0.000	1	110.8680	0.000	1	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.4830	0.000	1	112.4830	0.000	1	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,2|C<3>,2|H<1>}	113.3870	0.427	2	112.9737	0.604	3	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.1470	0.000	1	112.9737	0.604	3	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	111.0380	0.000	1	111.3060	0.434	5	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	112.0140	0.000	1	111.3060	0.434	5	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|F<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	110.4940	0.000	1	111.3060	0.434	5	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|O<2>,2|C<3>,3|H<1>}	111.4920	0.659	2	111.3060	0.434	5	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.3803	1.423	4	112.3803	2.026	4	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	110.2630	0.000	1	111.4608	1.363	4	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,3|H<1>}	112.4495	0.302	2	111.4608	1.363	4	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|I<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|I<1>,2|C<3>,2|H<1>}	110.6810	0.000	1	111.4608	1.363	4	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|H<1>,2|C<3>}	114.2910	0.000	1	114.2910	0.000	1	111.8524	1.646	23	112.1158	2.382	25	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:2:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO){1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|Br<1>,1|O<2>,3|C<3>}	112.5270	1.307	2	112.5270	1.708	2	112.5270	1.708	2	112.3157	0.988	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:2:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO){4|C<3>}	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	112.3157	0.988	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|H<1>,4|C<3>}	112.8825	0.367	2	112.8825	0.135	2	112.8825	0.135	2	112.3035	0.387	10	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	112.1587	0.599	8	112.1587	0.358	8	112.1587	0.358	8	112.3035	0.387	10	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:3:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	110.0685	0.779	2	110.0685	0.606	2	110.1907	0.348	3	110.1907	0.348	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:3:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	110.4350	0.000	1	110.4350	0.000	1	110.1907	0.348	3	110.1907	0.348	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	112.8860	0.000	1	112.8860	0.000	1	111.8150	2.294	2	110.0093	4.273	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	110.7440	0.000	1	110.7440	0.000	1	111.8150	2.294	2	110.0093	4.273	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH){1|H<1>,1|O<2>,3|C<3>}	111.6880	0.000	1	111.6880	0.000	1	109.1065	3.096	4	110.0093	4.273	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH){7|C<3>}	108.4405	0.418	2	108.4405	0.175	2	109.1065	3.096	4	110.0093	4.273	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH){1|H<1>,4|C<3>}	107.8570	0.000	1	107.8570	0.000	1	109.1065	3.096	4	110.0093	4.273	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:2:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.1500	0.000	1	111.1500	0.000	1	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.9930	0.000	1	111.9930	0.000	1	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7093	1.501	3	111.7093	2.254	3	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	111.9520	0.000	1	111.9520	0.000	1	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]O){1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	112.4270	0.000	2	112.4270	0.000	2	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.1350	0.000	1	111.1350	0.000	1	111.8013	0.781	9	111.8013	0.781	9	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:2:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO){5|C<3>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:2:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	112.0335	0.071	2	112.0335	0.005	2	112.0335	0.005	2	112.0335	0.005	2	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){2|H<1>,3|C<3>}	110.6040	0.000	1	110.6040	0.000	1	109.9778	0.994	4	109.9778	0.994	4	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	110.3290	0.000	1	110.3290	0.000	1	109.9778	0.994	4	109.9778	0.994	4	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	108.4920	0.000	1	108.4920	0.000	1	109.9778	0.994	4	109.9778	0.994	4	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	110.4860	0.000	1	110.4860	0.000	1	109.9778	0.994	4	109.9778	0.994	4	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	110.4730	0.000	1	110.4730	0.000	1	110.8637	0.377	3	110.8637	0.377	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	110.5470	0.000	1	110.5470	0.000	1	110.8637	0.377	3	110.8637	0.377	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:2:4:4:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	111.5710	0.000	1	111.5710	0.000	1	110.8637	0.377	3	110.8637	0.377	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	109.5730	0.000	1	109.5620	0.000	2	109.5620	0.000	2	109.5620	0.000	2	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	109.5510	0.000	1	109.5620	0.000	2	109.5620	0.000	2	109.5620	0.000	2	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P){7|C<3>}	108.6190	0.000	1	108.6190	0.000	1	108.9195	0.181	2	108.9195	0.181	2	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	109.2200	0.000	1	109.2200	0.000	1	108.9195	0.181	2	108.9195	0.181	2	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	109.4130	0.000	1	109.7155	0.661	6	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	110.0260	0.805	4	109.7155	0.661	6	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	108.7760	0.000	1	109.7155	0.661	6	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	111.0660	0.000	1	111.0660	0.000	1	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	109.3210	0.000	1	109.3210	0.000	1	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]){6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	110.2660	0.000	1	110.2660	0.000	1	109.8829	0.667	9	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:3:	3:4:3:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	110.2791	1.317	11	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:3:	3:4:	3:4:3:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:3:	4:3:	3:4:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir){1|N<3>,2|H<1>,4|C<3>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	108.1210	0.000	1	109.0043	0.665	3	109.0043	0.665	3	109.0043	0.665	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.4460	0.400	2	109.0043	0.665	3	109.0043	0.665	3	109.0043	0.665	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]){6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.0880	0.000	1	109.0880	0.000	1	109.3410	2.529	6	109.3410	2.529	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.6360	0.000	1	108.6360	0.000	1	109.3410	2.529	6	109.3410	2.529	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.6560	0.000	1	108.6560	0.000	1	109.3410	2.529	6	109.3410	2.529	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	112.5370	0.000	1	112.5370	0.000	1	109.3410	2.529	6	109.3410	2.529	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	108.5645	0.443	2	108.5645	0.197	2	109.3410	2.529	6	109.3410	2.529	6	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:3:3:2:	3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]C[6a]2){1|C<4>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	3:3:4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	111.5245	0.944	2	111.5245	0.891	2	111.8303	0.726	3	111.8303	0.726	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	3:3:4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]O){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	112.4420	0.000	1	112.4420	0.000	1	111.8303	0.726	3	111.8303	0.726	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	108.9110	0.000	1	108.9110	0.000	1	110.6720	2.328	3	110.6720	2.328	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:3:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	111.5525	0.062	2	111.5525	0.004	2	110.6720	2.328	3	110.6720	2.328	3	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP2	C[6]	O[6]	C[6,6a]	3:4:3:2:	4:3:	4:3:3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6]-4:C[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C)	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C){1|Br<1>,2|C<4>,4|C<3>}	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	111.2069	2.842	164	110.9659	3.982	195
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.2390	0.000	1	109.5435	0.185	2	109.5435	0.185	2	109.5435	0.185	2	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6]O[6])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.8480	0.000	1	109.5435	0.185	2	109.5435	0.185	2	109.5435	0.185	2	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:2:4:4:	4:4:	3:4:3:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[5,6,6]-4:C[3x6]-4:	C[6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:2:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	105.7700	0.318	2	105.7700	0.101	2	106.3752	0.561	4	106.3752	0.561	4	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:2:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	106.9805	0.342	2	106.9805	0.117	2	106.3752	0.561	4	106.3752	0.561	4	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6]){7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	104.6848	0.426	10	104.6848	0.181	10	105.0475	0.362	19	105.0475	0.362	19	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:3:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C[6a])(O[6,6]C[3x6]){7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	105.4506	0.514	9	105.4506	0.264	9	105.0475	0.362	19	105.0475	0.362	19	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:4:	3:4:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	N[5,6,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C){1|O<1>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	105.1145	0.141	2	105.1145	0.020	2	105.1145	0.020	2	105.1145	0.020	2	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:4:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.4825	0.284	2	105.4825	0.080	2	106.4460	0.667	10	106.4460	0.667	10	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:4:	4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.6869	0.717	8	106.6869	0.514	8	106.4460	0.667	10	106.4460	0.667	10	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:2:4:	4:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C){1|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.1920	2.679	2	106.1920	7.174	2	106.1920	7.174	2	106.1920	7.174	2	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:3:3:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	103.3630	0.000	1	103.3630	0.000	1	103.3630	0.000	1	103.3630	0.000	1	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.6200	0.099	2	109.6200	0.010	2	109.6200	0.010	2	109.1435	0.313	4	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.5620	0.000	1	108.6670	0.022	2	108.6670	0.022	2	109.1435	0.313	4	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	108.7720	0.000	1	108.6670	0.022	2	108.6670	0.022	2	109.1435	0.313	4	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	3:4:2:4:	4:4:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	106.0620	0.000	1	106.0620	0.000	1	106.1022	0.029	4	106.6626	1.591	5	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	106.1815	0.240	2	106.1157	0.042	3	106.1022	0.029	4	106.6626	1.591	5	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	105.9840	0.000	1	106.1157	0.042	3	106.1022	0.029	4	106.6626	1.591	5	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	106.6626	1.591	5	106.2456	2.761	51	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6a]	3:3:3:2:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	108.1575	2.529	2	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[3x6]	O[6,6]	C[6,6a]	3:4:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH)	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H)	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	108.1575	2.529	2	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[4x6]	O[6,6]	C[3x6,6a]	3:3:3:2:	4:2:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6])	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	O[6,6](C[4x6]C[3x6,6a]C[6,6a]C[6,6])(O[6,6]C[5,3x6]){7|C<3>}	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	104.8700	0.000	1	104.8700	0.000	1	104.8700	0.000	1	104.8700	0.000	1	104.8700	0.000	1	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.0750	0.008	2	112.0750	0.000	2	112.6998	0.430	6	112.6998	0.430	6	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.2650	0.000	1	113.2650	0.000	1	112.6998	0.430	6	112.6998	0.430	6	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	113.4530	0.000	1	113.4530	0.000	1	112.6998	0.430	6	112.6998	0.430	6	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	113.1550	0.000	1	113.1550	0.000	1	112.6998	0.430	6	112.6998	0.430	6	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	112.1760	0.000	1	112.1760	0.000	1	112.6998	0.430	6	112.6998	0.430	6	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.9295	0.324	4	111.0884	0.205	5	111.0533	0.155	7	111.0533	0.155	7	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	111.7240	0.000	1	111.0884	0.205	5	111.0533	0.155	7	111.0533	0.155	7	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7540	0.000	1	110.7540	0.000	1	111.0533	0.155	7	111.0533	0.155	7	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:2:4:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.1770	0.000	1	111.1770	0.000	1	111.0533	0.155	7	111.0533	0.155	7	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:3:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:3:2:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	112.2750	0.219	2	112.2750	0.048	2	112.2750	0.048	2	112.2750	0.048	2	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:4:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	110.8400	0.000	1	110.8400	0.000	1	110.9715	0.035	2	110.9715	0.035	2	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:2:4:1:	4:4:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2){5|C<3>,5|H<1>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.1030	0.000	1	111.1030	0.000	1	110.9715	0.035	2	110.9715	0.035	2	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.3100	0.000	1	111.3100	0.000	1	108.6770	13.865	2	109.2140	7.798	3	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	106.0440	0.000	1	106.0440	0.000	1	108.6770	13.865	2	109.2140	7.798	3	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	109.2140	7.798	3	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H)	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H){4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.0445	2.897	2	110.0445	8.393	2	110.0445	8.393	2	109.1211	1.569	8	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.5680	0.000	1	108.5680	0.000	1	108.8133	0.063	6	109.1211	1.569	8	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.0027	0.202	3	109.0027	0.041	3	108.8133	0.063	6	109.1211	1.569	8	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:3:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.6520	0.110	2	108.6520	0.012	2	108.8133	0.063	6	109.1211	1.569	8	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	108.5770	0.255	2	108.5770	0.065	2	108.5770	0.065	2	108.5770	0.065	2	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)2	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)2{2|H<1>,6|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.4400	0.533	2	112.4400	0.284	2	110.8498	3.519	4	110.8498	3.519	4	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	108.9800	0.000	1	108.9800	0.000	1	110.8498	3.519	4	110.8498	3.519	4	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:4:2:1:	4:4:	4:3:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.5390	0.000	1	109.5390	0.000	1	110.8498	3.519	4	110.8498	3.519	4	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6,6]	C[6,6a]	3:4:2:4:	4:4:	4:3:3:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	110.4873	3.360	36	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	3:4:2:1:	4:4:	3:3:4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	110.8400	0.000	1	110.8400	0.000	1	110.6935	0.099	4	110.6935	0.099	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	3:4:2:1:	4:4:	3:3:4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	110.2340	0.000	1	110.2340	0.000	1	110.6935	0.099	4	110.6935	0.099	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	3:4:2:1:	4:4:	3:3:4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	110.8500	0.126	2	110.8500	0.016	2	110.6935	0.099	4	110.6935	0.099	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC)	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	109.6817	3.301	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	109.6400	0.000	1	110.9510	3.437	2	110.1383	3.700	3	109.6817	3.301	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	112.2620	0.000	1	110.9510	3.437	2	110.1383	3.700	3	109.6817	3.301	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6,6a]	4:3:2:1:	4:4:	4:3:3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	108.5130	0.000	1	108.5130	0.000	1	110.1383	3.700	3	109.6817	3.301	4	110.1876	1.749	8	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:3:2:2:	4:4:	3:4:3:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	114.5440	0.000	2	114.5440	0.000	2	114.5440	0.000	2	114.5440	0.000	2	112.4100	13.662	3	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6,6]	O[6]	C[6,6a]	3:4:4:2:	4:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6])	O[6](C[6,6]C[6,6a]C[6]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6]){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(O[6]C[6]){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	112.4100	13.662	3	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.3335	0.590	2	107.3335	0.349	2	107.3335	0.349	2	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	113.6590	0.881	2	113.6590	0.776	2	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.2105	0.250	2	113.1430	0.045	3	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0080	0.000	1	113.1430	0.045	3	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	112.0420	0.000	1	112.0420	0.000	1	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	115.3830	0.064	2	115.3830	0.004	2	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH){7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	115.1860	0.000	1	115.1860	0.000	1	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	113.0075	0.435	2	113.0075	0.189	2	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.2480	0.000	1	112.2480	0.000	1	113.5837	1.411	12	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.0200	0.000	1	111.8580	1.241	3	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.8820	0.000	1	111.8580	1.241	3	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|Fe<7>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.6720	0.000	1	111.8580	1.241	3	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH){6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	112.5345	0.668	2	112.5345	0.447	2	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	108.6980	0.000	1	108.6980	0.000	1	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.1950	0.000	1	107.1950	0.000	1	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	114.0473	0.513	4	114.0473	0.263	4	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	111.6310	0.765	2	111.6310	0.585	2	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	113.1720	0.000	1	113.1720	0.000	1	112.0828	4.403	14	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:B[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH){1|B<4>,3|C<3>}	111.3738	1.173	4	111.3738	1.375	4	111.3738	1.375	4	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Mn<8>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	111.9730	0.000	1	111.6623	0.311	3	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Re<8>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	111.5070	0.690	2	111.6623	0.311	3	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	112.9000	0.000	1	112.9000	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	112.7386	0.875	5	112.7085	0.618	6	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.5580	0.000	1	112.7085	0.618	6	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.5330	0.000	1	111.2380	3.354	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.9430	0.000	1	111.2380	3.354	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	112.9380	0.000	1	112.9213	1.109	10	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.6820	0.000	1	112.9213	1.109	10	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.4290	2.413	2	112.9213	1.109	10	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	113.2892	0.515	6	112.9213	1.109	10	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	112.2480	0.000	1	112.6135	0.267	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.9790	0.000	1	112.6135	0.267	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	111.1540	0.000	1	111.1540	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.6650	0.000	1	113.6250	0.003	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	113.5850	0.000	1	113.6250	0.003	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	113.2260	0.109	2	113.2260	0.012	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	111.5545	0.050	2	111.5545	0.003	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH){1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	112.8440	0.000	1	112.8440	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3160	0.000	1	110.3160	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	111.3400	0.000	1	111.3400	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.9410	0.000	1	110.8826	0.191	8	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|H<1>,2|C<4>}	109.8820	0.000	1	110.8826	0.191	8	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	111.0397	0.193	6	110.8826	0.191	8	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	114.0950	0.000	1	114.0950	0.000	1	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	111.6100	0.000	1	112.7024	0.539	5	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.6655	0.433	2	112.7024	0.539	5	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	113.0730	0.000	1	112.7024	0.539	5	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|H<1>,3|C<4>}	113.4980	0.000	1	112.7024	0.539	5	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.0830	0.000	1	107.2045	0.030	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|Ru<8>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	107.3260	0.000	1	107.2045	0.030	2	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH){4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	110.4660	0.854	3	110.4660	0.730	3	111.9586	2.266	54	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	112.0790	3.278	88	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:1:1:	5:4:	3:3:4:	C[6,6a]-3:O[6]-2:H-1:H-1:	P[3x6]-5:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<5>,2|H<1>,3|C<3>}	112.2400	0.586	3	112.2400	0.344	3	112.2400	0.344	3	112.2400	0.344	3	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	110.7015	1.259	2	110.7015	1.586	2	110.7015	1.586	2	112.5546	2.361	7	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	112.5546	2.361	7	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	113.5520	0.000	1	113.5520	0.000	1	113.6737	0.036	4	112.5546	2.361	7	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:2:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	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[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	113.7143	0.209	3	113.7143	0.044	3	113.6737	0.036	4	112.5546	2.361	7	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:3:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.9320	0.312	2	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:3:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	110.9320	0.312	2	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:3:1:	4:4:	3:4:3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[4,6,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	112.6860	0.721	2	112.6860	0.520	2	112.6860	0.520	2	112.6860	0.520	2	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:3:2:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.6500	0.000	2	111.6500	0.000	2	111.6500	0.000	2	111.6500	0.000	2	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	3:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3800	0.473	3	108.3800	0.224	3	108.3800	0.224	3	108.3800	0.224	3	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:3:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.9760	0.000	1	110.0965	0.029	2	110.0965	0.029	2	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.2170	0.000	1	110.0965	0.029	2	110.0965	0.029	2	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	111.7230	0.000	1	111.7230	0.000	1	112.2402	0.796	5	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	113.0490	0.000	1	113.0490	0.000	1	112.2402	0.796	5	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.2850	0.000	1	113.2850	0.000	1	112.2402	0.796	5	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.1980	0.000	1	111.1980	0.000	1	112.2402	0.796	5	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	111.9460	0.000	1	111.9460	0.000	1	112.2402	0.796	5	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:1:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	111.6356	1.398	8	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:4:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[5,5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.8965	1.890	2	109.8965	3.572	2	109.8965	3.572	2	109.6680	1.303	4	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:4:	4:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.4395	0.359	2	109.4395	0.129	2	109.4395	0.129	2	109.6680	1.303	4	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:2:4:4:	5:4:	3:3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	Nb[6,6]-5:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	O[6](Nb[6,6]N[6,6]O[6]CC)(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[6](Nb[6,6]N[6,6]O[6]CC)(C[6]C[6,6a]CC){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	111.6285	0.019	2	111.6285	0.000	2	111.6285	0.000	2	111.6285	0.000	2	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	111.2865	0.504	2	111.2860	0.127	3	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	111.2850	0.000	1	111.2860	0.127	3	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	113.4620	0.000	1	113.4620	0.000	1	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	112.0600	0.000	1	112.0600	0.000	1	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.6520	0.000	1	111.3563	0.120	3	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.2085	0.329	2	111.3563	0.120	3	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	111.4950	0.059	2	111.4950	0.004	2	111.6439	0.517	10	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:1:	4:4:	3:4:3:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	111.8261	0.619	13	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:3:	4:2:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6]-4:O[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6]){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:3:2:4:	4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,3|C<4>,4|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.4837	0.281	3	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.8940	0.000	1	110.8940	0.000	1	111.4070	0.526	2	111.4837	0.281	3	111.8173	3.042	140	110.3336	8.060	241
466	622	643	6:SP3_SP2_SP3	C[6]	O[6]	C[6,6a]	3:4:2:1:	4:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.9200	0.000	1	111.9200	0.000	1	111.4070	0.526	2	111.4837	0.281	3	111.8173	3.042	140	110.3336	8.060	241