893	490	538	0:SP3_SP3_SPD5	O	C	Ge[5,3x6]	5:4:	2:1:1:1:	3:3:3:3:2:	Ge[5,3x6]-5:C-4:	O-2:H-1:H-1:H-1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	C(OGe[5,3x6])(H)3	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CH3)	C(OGe[5,3x6])(H)3	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	120.9370	0.802	2	120.9370	0.643	2	120.9370	0.643	2	120.9370	0.643	2	121.1810	0.500	3	121.1810	0.500	3
893	490	538	0:SP3_SP3_SPD5	O	C	Ge[5,3x6]	5:4:	2:4:1:1:	3:3:3:3:2:	Ge[5,3x6]-5:C-4:	O-2:C-4:H-1:H-1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	C(OGe[5,3x6])(CH3)(H)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	C(OGe[5,3x6])(CH3)(H)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	121.1810	0.500	3	121.1810	0.500	3
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC){1|H<1>,2|C<3>,2|C<4>}	111.1730	0.000	1	111.1730	0.000	1	109.9337	1.252	3	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	109.3140	0.448	2	109.3140	0.201	2	109.9337	1.252	3	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	110.5160	0.000	1	110.5160	0.000	1	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC){2|C<3>}	109.9520	0.554	2	109.9520	0.307	2	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	110.9490	0.000	1	110.9490	0.000	1	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|H<1>,1|O<2>}	110.4260	0.110	2	110.7790	0.380	3	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|Pd<4>,1|H<1>}	111.4850	0.000	1	110.7790	0.380	3	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(OC){1|H<1>,1|O<2>}	110.4600	0.113	2	110.4600	0.013	2	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]O)2(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]O)2(OC){1|C<3>,1|C<4>,2|H<1>}	110.5660	0.000	1	110.6140	0.005	2	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]O)2(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]O)2(OC){4|H<1>}	110.6620	0.000	1	110.6140	0.005	2	110.5322	0.214	11	110.4039	0.422	14	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	B[5]-4:C[5]-3:O-2:	O(N[5]B[5]C[5])(CH3)	C(ON[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(OC)	O(N[5]B[5]C[5])(CH3)	C(ON[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(OC){6|C<3>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC)	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC){1|C<4>,2|H<1>,4|C<3>}	109.8020	0.000	1	109.8020	0.000	1	109.4840	0.202	2	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC)	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC){2|C<3>,2|C<4>,4|H<1>}	109.1660	0.000	1	109.1660	0.000	1	109.4840	0.202	2	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC){1|C<4>,2|H<1>}	109.7270	0.000	1	109.7270	0.000	1	109.6280	0.998	8	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|C<3>}	109.9053	0.278	3	109.9053	0.077	3	109.6280	0.998	8	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC){2|C<3>}	108.5040	0.000	1	108.5040	0.000	1	109.6280	0.998	8	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	110.2985	1.763	2	110.2985	3.108	2	109.6280	0.998	8	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|N<3>,3|H<1>}	108.4800	0.000	1	108.4800	0.000	1	109.6280	0.998	8	110.0265	2.730	11	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:3:1:1:	3:3:2:	N[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCN)(H)2	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCN)(H)2	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	110.4552	0.656	4	110.4552	0.430	4	110.4552	0.430	4	110.4552	0.430	4	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:4:1:1:	3:2:2:	N[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(N[5]C[5]N[5])(CCHH)	C(ON[5])(CHHO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(OC)	O(N[5]C[5]N[5])(CCHH)	C(ON[5])(CHHO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(OC){1|H<1>}	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:4:1:1:	3:3:2:	N[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC)	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC){1|H<1>,2|C<3>}	110.1897	1.290	3	110.1897	1.663	3	110.1897	1.663	3	110.1897	1.663	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:4:1:1:	4:3:2:	N[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|O<1>,2|C<4>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:4:3:1:	3:3:2:	N[5]-3:C-4:	O-2:C-4:C-3:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCCH)	C(ON[5])(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CCCH)	C(ON[5])(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	110.3680	0.000	1	110.3680	0.000	1	112.0565	5.702	2	112.0565	5.702	2	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	2:4:3:1:	3:3:2:	N[5]-3:C-4:	O-2:C-4:C-3:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCCH)	C(ON[5])(CH3)(COO)(H)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	O(N[5]C[5]2)(CCCH)	C(ON[5])(CH3)(COO)(H)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|H<1>}	113.7450	0.000	1	113.7450	0.000	1	112.0565	5.702	2	112.0565	5.702	2	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	3:3:2:	N[5]-3:C-4:	C-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(CC[6a]O)(ON[5])(H)2	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CCHH)	C(CC[6a]O)(ON[5])(H)2	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	110.0747	0.789	4	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	3:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	109.8400	0.000	1	109.8400	0.000	1	110.3367	0.772	3	110.0747	0.789	4	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	3:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(OC){1|H<1>,1|O<2>}	110.5850	1.083	2	110.5850	1.174	2	110.3367	0.772	3	110.0747	0.789	4	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC)	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC){2|C<3>,2|O<2>,3|C<4>}	110.4730	0.990	2	110.4730	0.980	2	110.5250	0.498	3	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC)	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC){1|O<2>,2|C<4>,3|C<3>}	110.6290	0.000	1	110.6290	0.000	1	110.5250	0.498	3	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC)	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(OC){2|C<4>,4|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	110.0450	0.000	1	110.0450	0.000	1	109.5967	0.494	3	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC){1|C<4>,2|C<3>,3|H<1>}	109.9580	0.000	1	109.9580	0.000	1	109.5967	0.494	3	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(OC){1|H<1>,3|C<3>}	108.7870	0.000	1	108.7870	0.000	1	109.5967	0.494	3	110.1159	0.567	7	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:4:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	B[5]-4:P[5]-4:O-2:	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC){2|C<4>,2|H<1>,8|C<3>}	110.5550	0.081	2	110.5550	0.006	2	110.7453	0.112	3	110.7453	0.112	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:4:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	B[5]-4:P[5]-4:O-2:	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC){4|H<1>,8|C<3>}	111.1260	0.000	1	111.1260	0.000	1	110.7453	0.112	3	110.7453	0.112	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:4:1:	3:3:2:	N[5]-3:C-4:	C-3:O-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCCH)	C(CC[6a]O)(ON[5])(CHHN)(H)	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CCCH)	C(CC[6a]O)(ON[5])(CHHN)(H)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	110.9420	0.218	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:4:1:	3:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	111.4730	0.000	1	111.4730	0.000	1	111.0335	0.386	2	110.9420	0.218	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:4:1:	3:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	110.5940	0.000	1	110.5940	0.000	1	111.0335	0.386	2	110.9420	0.218	3	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	3:2:4:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(OC)	O(N[5]C[5,6]C[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(OC){1|C<3>,2|C<4>,7|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	4:2:1:1:	3:3:2:	N[5]-3:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(CC[6a]HO)(ON[5])(H)2	N[5](C[5]C[5,6a]O)2(OC)	O(N[5]C[5]2)(CCHH)	C(CC[6a]HO)(ON[5])(H)2	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	108.2840	0.000	1	108.2840	0.000	1	109.1885	1.636	2	109.1885	1.636	2	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP2_SP3	O	C	N[5]	3:4:	4:2:1:1:	3:3:2:	N[5]-3:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CCHH)	C(CN[6]HH)(ON[5])(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC)	O(N[5]C[5]2)(CCHH)	C(CN[6]HH)(ON[5])(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC){1|H<1>,2|C<3>}	110.0930	0.000	1	110.0930	0.000	1	109.1885	1.636	2	109.1885	1.636	2	110.3595	1.258	56	110.3595	1.258	56
893	490	542	0:SP3_SP3_SP3	O	C	N[5,6]	3:4:	2:1:1:1:	4:4:2:	N[5,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:	O(N[5,6]C[5,6]2)(CH3)	C(ON[5,6])(H)3	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC)	O(N[5,6]C[5,6]2)(CH3)	C(ON[5,6])(H)3	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC){1|O<2>,3|C<3>,4|H<1>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	O(N[5]C[5,6a]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	110.0477	0.007	3	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	3:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	110.0500	0.122	2	110.0500	0.015	2	110.0500	0.015	2	110.0477	0.007	3	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O-2:	O(N[5]C[5,5,6]C[5,6a])(CH3)	C(ON[5])(H)3	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC)	O(N[5]C[5,5,6]C[5,6a])(CH3)	C(ON[5])(H)3	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC){1|C<4>,2|H<1>,6|C<3>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC)	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC){2|H<1>,4|C<3>}	110.2420	0.000	1	110.2420	0.000	1	109.7980	0.394	2	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC)	O(N[5]C[5,6]C[5])(CH3)	C(ON[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	109.3540	0.000	1	109.3540	0.000	1	109.7980	0.394	2	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	110.5710	1.455	2	110.5710	2.118	2	110.0652	1.077	5	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	110.1995	0.071	2	110.1995	0.005	2	110.0652	1.077	5	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:3:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|H<1>,1|O<2>}	108.7850	0.000	1	108.7850	0.000	1	110.0652	1.077	5	109.7987	0.976	8	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	2:1:1:1:	4:4:2:	N[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-2:	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC)	O(N[5]C[5]2)(CH3)	C(ON[5])(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC){1|O<2>,3|C<3>,5|H<1>}	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC)	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	108.1460	0.000	1	109.7960	5.445	2	109.7960	5.445	2	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	O(N[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|S<4>,2|C<3>,2|H<1>}	111.4460	0.000	1	109.7960	5.445	2	109.7960	5.445	2	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(OC){1|O<2>,2|H<1>}	111.2350	0.000	1	111.2350	0.000	1	109.4460	2.409	3	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,1|H<1>,1|O<2>}	108.4590	0.000	1	108.4590	0.000	1	109.4460	2.409	3	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:3:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	O(N[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC){2|C<4>}	108.6440	0.000	1	108.6440	0.000	1	109.4460	2.409	3	109.8080	2.378	6	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:4:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	B[5]-4:P[5]-4:O-2:	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC){1|C<4>,3|H<1>,8|C<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	112.3635	11.544	2	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:1:1:	4:4:2:	N[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC)	O(N[5]C[5,5]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5])(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC){1|C<4>,2|C<3>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	112.3635	11.544	2	110.3010	4.023	21	110.2415	3.909	22
893	490	542	0:SP3_SP3_SP3	O	C	N[5]	3:4:	3:2:4:1:	4:4:2:	N[5]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	B[5]-4:P[5]-4:O-2:	O(N[5]B[5]P[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC)	O(N[5]B[5]P[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC){2|C<4>,2|H<1>,8|C<3>}	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	110.3010	4.023	21	110.2415	3.909	22
893	490	562	0:SP3_SP3_SP3	O	C	Si[5]	4:4:	2:1:1:1:	3:3:2:2:	Si[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:O-2:	O(Si[5]C[5]2O)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[6a]C[5])2(OC)2	O(Si[5]C[5]2O)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[6a]C[5])2(OC)2{6|C<3>}	125.1840	3.536	3	125.1840	12.504	3	125.1840	12.504	3	125.1840	12.504	3	126.4039	19.940	10	126.4039	19.940	10
893	490	562	0:SP3_SP3_SP3	O	C	Si[5]	4:4:	2:1:1:1:	4:3:4:2:	Si[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O(Si[5]C[5]2C)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	O(Si[5]C[5]2C)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	123.9370	0.318	2	123.9370	0.101	2	123.9370	0.101	2	123.9370	0.101	2	126.4039	19.940	10	126.4039	19.940	10
893	490	562	0:SP3_SP3_SP3	O	C	Si[5]	4:4:	2:1:1:1:	4:4:4:2:	Si[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-4:Si-4:O-2:	O(Si[5]C[5]2Si)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC)	O(Si[5]C[5]2Si)(CH3)	C(OSi[5])(H)3	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC){4|H<1>}	132.0250	0.000	1	132.0250	0.000	1	132.0250	0.000	1	132.0250	0.000	1	126.4039	19.940	10	126.4039	19.940	10
893	490	562	0:SP3_SP3_SP3	O	C	Si[5]	4:4:	2:4:1:1:	4:4:2:2:	Si[5]-4:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	O(Si[5]C[5]2O)(CCHH)	C(OSi[5])(CHHN)(H)2	Si[5](C[5]C[5]HH)2(OC[6a])(OC)	O(Si[5]C[5]2O)(CCHH)	C(OSi[5])(CHHN)(H)2	Si[5](C[5]C[5]HH)2(OC[6a])(OC){4|H<1>}	122.0510	0.124	2	122.0510	0.015	2	122.0510	0.015	2	122.0510	0.015	2	126.4039	19.940	10	126.4039	19.940	10
893	490	562	0:SP3_SP3_SP3	O	C	Si[5]	4:4:	3:4:2:2:	3:4:4:2:	Si[5]-4:C-4:	C[6a]-3:C-4:O-2:C-2:	C[5,6a]-3:C[5]-4:C-4:O-2:	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	132.2430	0.143	2	132.2430	0.020	2	132.2430	0.020	2	132.2430	0.020	2	126.4039	19.940	10	126.4039	19.940	10
893	490	602	0:SP3_SP3_SPD6	O	C	Ga[4x6]	6:4:	2:1:1:1:	3:3:3:3:3:2:	Ga[4x6]-6:C-4:	O-2:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:O-2:	O(Ga[4x6]N[5a,6,6]4O)(CH3)	C(OGa[4x6])(H)3	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC)	O(Ga[4x6]N[5a,6,6]4O)(CH3)	C(OGa[4x6])(H)3	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC){12|C<3>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1
893	490	606	0:SP3_SP3_SP3	O	C	Ge[5]	4:4:	2:4:4:4:	3:3:2:1:	Ge[5]-4:C-4:	O-2:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:S-1:	O(Ge[5]N[5]2S)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(S)	O(Ge[5]N[5]2S)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(S){2|C<3>}	133.5680	0.000	1	133.5680	0.000	1	133.5680	0.000	1	132.1943	5.802	3	131.2218	5.857	5	131.2218	5.857	5
893	490	606	0:SP3_SP3_SP3	O	C	Ge[5]	4:4:	2:4:4:4:	3:3:2:1:	Ge[5]-4:C-4:	O-2:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:Se-1:	O(Ge[5]N[5]2Se)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(Se)	O(Ge[5]N[5]2Se)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(Se){2|C<3>}	131.5075	2.962	2	131.5075	8.774	2	131.5075	8.774	2	132.1943	5.802	3	131.2218	5.857	5	131.2218	5.857	5
893	490	606	0:SP3_SP3_SP3	O	C	Ge[5]	4:4:	2:4:4:4:	3:3:2:2:	Ge[5]-4:C-4:	O-2:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:O-2:	O(Ge[5]N[5]2O)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OB)(OC)	O(Ge[5]N[5]2O)(CC3)	C(OGe[5])(CH3)3	Ge[5](N[5]C[5]C)2(OB)(OC){2|C<3>}	129.7630	2.175	2	129.7630	4.731	2	129.7630	4.731	2	129.7630	4.731	2	131.2218	5.857	5	131.2218	5.857	5
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	2:1:1:1:	2:2:1:1:	B-4:C-4:	O-2:H-1:H-1:H-1:	O-2:O-2:F-1:F-1:	O(BFFO)(CH3)	C(OB)(H)3	B(OC)2(F)2	O(BFFO)(CH3)	C(OB)(H)3	B(OC)2(F)2	118.2575	3.108	2	118.2575	9.658	2	118.2575	9.658	2	118.2575	9.658	2	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	2:1:1:1:	2:2:2:2:	B-4:C-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:O-2:	O(BO3)(CH3)	C(OB)(H)3	B(OC)4	O(BO3)(CH3)	C(OB)(H)3	B(OC)4	116.3603	2.438	4	116.3603	5.943	4	116.3603	5.943	4	116.3603	5.943	4	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	2:1:1:1:	3:2:1:1:	B-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:F-1:F-1:	O(BC[6a]FF)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)(F)2	O(BC[6a]FF)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)(F)2	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	2:1:1:1:	3:3:2:2:	B-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O(BC[6a]2O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)2(ON[6])(OC)	O(BC[6a]2O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)2(ON[6])(OC)	125.6990	0.000	1	125.6990	0.000	1	125.6990	0.000	1	125.6990	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	2:1:1:1:	3:3:3:2:	B-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-3:O-2:	O(BC[6]2O)(CH3)	C(OB)(H)3	B(C[6]C[6]N[6])2(OPtC)(OC)	O(BC[6]2O)(CH3)	C(OB)(H)3	B(C[6]C[6]N[6])2(OPtC)(OC)	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	3:2:1:1:	3:3:3:2:	C-4:B-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(CC[6a]HH)(BC[6a]3)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(CC[6a]HH)(BC[6a]3)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	3:2:1:1:	3:3:4:2:	B-4:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(BC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	O(BC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	119.1700	0.280	2	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	3:2:1:1:	3:3:4:2:	B-4:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	O(BC[6a]2C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	O(BC[6a]2C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.1700	0.280	2	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	3:3:2:1:	3:3:4:2:	B-4:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	O(BC[6a]2C[6])(CC[6a]2H)	C(C[6a]C[6a]2)2(OB)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	O(BC[6a]2C[6])(CC[6a]2H)	C(C[6a]C[6a]2)2(OB)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(OC)	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	3:4:2:1:	3:3:3:2:	C-4:B-4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(CC[6a]HP)(BC[6a]3)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	B(C[6a]C[6a]2)3(OC)	O(CC[6a]HP)(BC[6a]3)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	B(C[6a]C[6a]2)3(OC)	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	2:2:2:2:	C-4:B-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-2:	O(CCHH)(BO3)	C(CF3)(OB)(H)2	B(OC)4	O(CCHH)(BO3)	C(CF3)(OB)(H)2	B(OC)4	116.6140	1.076	4	116.6140	1.158	4	116.6140	1.158	4	116.6140	1.158	4	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	3:3:3:2:	B-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(CCHH)	C(CCHH)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(BC[6a]3)(CCHH)	C(CCHH)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	118.2005	1.782	11	118.2005	3.175	11	118.9121	5.923	16	118.9121	5.923	16	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	3:3:3:2:	B-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(CCHH)	C(CF3)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(BC[6a]3)(CCHH)	C(CF3)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	123.6380	0.000	2	123.6380	0.000	2	118.9121	5.923	16	118.9121	5.923	16	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	3:3:3:2:	B-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(CCHH)	C(CH3)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(BC[6a]3)(CCHH)	C(CH3)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	120.3330	0.000	1	120.3330	0.000	1	118.9121	5.923	16	118.9121	5.923	16	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	3:3:3:2:	B-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(CCHH)	C(CHHO)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(BC[6a]3)(CCHH)	C(CHHO)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	117.0740	0.000	1	117.0740	0.000	1	118.9121	5.923	16	118.9121	5.923	16	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:2:1:1:	3:3:3:2:	B-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(CCHH)	C(CHHS)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	O(BC[6a]3)(CCHH)	C(CHHS)(OB)(H)2	B(C[6a]C[6a]2)3(OC)	117.7050	0.000	1	117.7050	0.000	1	118.9121	5.923	16	118.9121	5.923	16	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:4:2:1:	2:2:2:2:	C-4:B-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-2:	O(CCCH)(BO3)	C(CF3)2(OB)(H)	B(OC)4	O(CCCH)(BO3)	C(CF3)2(OB)(H)	B(OC)4	121.8715	0.938	4	121.8715	0.879	4	121.8715	0.879	4	121.8715	0.879	4	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:4:2:1:	3:3:3:2:	B-4:C-4:	C-4:C-4:O-2:H-1:	C[5a]-3:C[6]-3:O-3:O-2:	O(BC[5a]C[6]O)(CCCH)	C(CH3)2(OB)(H)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	O(BC[5a]C[6]O)(CCCH)	C(CH3)2(OB)(H)	B(C[5a]C[5a]S[5a])(C[6]C[6]N[6])(OLiC)(OC)	119.5700	1.534	2	119.5700	2.354	2	119.5700	2.354	2	119.5700	2.354	2	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:4:2:1:	4:4:4:2:	C-4:B-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(BC3)	C(CN[5]HH)(CC3)(OB)(H)	B(CCHH)3(OC)	O(CCCH)(BC3)	C(CN[5]HH)(CC3)(OB)(H)	B(CCHH)3(OC)	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	119.1979	6.806	45	119.1979	6.806	45
893	490	610	0:SP3_SP3_SP3	O	C	B	4:4:	4:4:4:2:	3:3:2:1:	B-4:C-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:O-2:H-1:	O(BC[6a]2H)(CC3)	C(CHHP)(CH3)2(OB)	B(C[6a]C[6a]2)2(OC)(H)	O(BC[6a]2H)(CC3)	C(CHHP)(CH3)2(OB)	B(C[6a]C[6a]2)2(OC)(H)	119.6740	0.940	4	119.6740	0.883	4	119.6740	0.883	4	119.6740	0.883	4	119.1979	6.806	45	119.1979	6.806	45
893	490	618	0:SP2_SP2_SP3	O	C	B[6]	3:4:	2:1:1:1:	4:4:2:	B[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-2:	O(B[6]C[5,6]2)(CH3)	C(OB[6])(H)3	B[6](C[5,6]C[5,6]C[5]Fe)2(OC)	O(B[6]C[5,6]2)(CH3)	C(OB[6])(H)3	B[6](C[5,6]C[5,6]C[5]Fe)2(OC){1|B<3>,2|H<1>,4|C<4>}	123.2360	1.315	2	123.2360	1.730	2	123.2360	1.730	2	123.2360	1.730	2	123.2360	1.730	2	123.2360	1.730	2
893	490	638	0:SP3_SP-NON_SP3	O	C	I[5]	3:4:	2:1:1:1:	3:3:2:	I[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:O[5]-3:O-2:	O(I[5]C[5,6a]O[5])(CH3)	C(OI[5])(H)3	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC)	O(I[5]C[5,6a]O[5])(CH3)	C(OI[5])(H)3	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]2)(OC){1|H<1>,2|O<2>,2|O<3>,3|C<3>}	114.5615	1.599	4	114.5615	2.555	4	114.5615	2.555	4	114.5615	2.555	4	114.5615	2.555	4	114.5615	2.555	4
893	490	643	0:SP2_SP2_SP2	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.7600	0.362	2	117.7600	0.131	2	117.7600	0.131	2	117.7600	0.131	2	117.7600	0.131	2	117.7600	0.131	2
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC){1|C<3>,2|N<3>}	116.8310	0.000	1	116.8310	0.000	1	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.1620	0.000	1	117.1620	0.000	1	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	117.3410	0.000	1	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	118.0995	0.391	2	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	117.2375	0.629	4	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	119.5836	3.638	5	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	117.1740	0.000	1	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	117.9390	1.592	2	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|Ir<6>,1|C<3>,1|O<2>}	117.1243	2.266	3	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	117.7420	0.711	8	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|C<3>}	118.1550	0.000	1	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	116.8750	0.000	1	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	117.5690	0.631	35	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	117.7792	0.546	4	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a])2(OC){3|C<3>}	116.3850	0.000	1	117.7090	1.623	68	117.6887	1.591	70	117.6887	1.591	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.6160	0.000	1	116.5832	0.069	4	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	116.5723	0.321	3	116.5832	0.069	4	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5270	0.000	1	117.5270	0.000	1	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|O<1>,2|N<3>}	117.1130	0.000	1	117.1130	0.000	1	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|C<4>}	117.7975	0.125	2	116.5862	0.980	11	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	116.3170	0.880	9	116.5862	0.980	11	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7679	0.439	8	117.5669	0.396	10	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.7630	0.778	2	117.5669	0.396	10	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.3727	1.381	16	117.3727	1.906	16	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.3278	0.248	6	116.3278	0.062	6	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	115.7320	0.000	1	115.7320	0.000	1	117.0150	1.124	50	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	116.4905	0.964	2	116.4905	0.929	2	116.3523	0.570	7	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	115.6180	0.000	1	115.6180	0.000	1	116.3523	0.570	7	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	117.1015	0.231	2	117.1015	0.053	2	116.3523	0.570	7	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	115.8320	0.440	2	115.8320	0.193	2	116.3523	0.570	7	116.9336	1.093	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	O(C[6a]C[5,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.8040	0.000	1	116.8040	0.000	1	116.8040	0.000	1	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	116.7460	0.000	1	117.1340	0.260	8	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	117.5230	0.344	2	117.1340	0.260	8	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	117.4915	0.257	2	117.1340	0.260	8	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	116.7657	0.511	3	117.1340	0.260	8	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	116.6560	0.000	1	116.6560	0.000	1	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	116.9040	0.000	1	117.2163	0.209	4	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.5875	0.261	2	117.2163	0.209	4	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	116.7860	0.000	1	117.2163	0.209	4	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	116.1620	0.000	1	116.0685	0.017	2	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	115.9750	0.000	1	116.0685	0.017	2	116.9820	0.332	15	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6,6,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	O(C[6a]C[6,6,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	116.9470	0.399	2	116.9470	0.159	2	116.9470	0.159	2	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	116.0620	1.286	2	116.0620	1.653	2	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	116.1190	0.000	1	116.9103	0.708	6	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	116.0780	0.000	1	116.9103	0.708	6	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	116.5830	0.000	1	116.9103	0.708	6	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	116.8500	0.000	1	116.9103	0.708	6	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	117.9160	0.298	2	116.9103	0.708	6	116.6983	0.896	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	117.9120	0.334	2	117.9120	0.111	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	116.3490	0.000	1	116.3490	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.4890	0.000	1	117.4890	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<3>,1|O<1>}	117.7400	0.000	1	117.7400	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|C<4>}	118.3230	0.000	1	118.3230	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	118.3575	0.798	2	118.3575	0.637	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.0008	0.293	4	117.1650	1.424	14	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	116.3905	1.520	4	117.1650	1.424	14	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	117.2760	0.308	2	117.1650	1.424	14	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|O<2>,1|P<4>,3|C<3>}	118.0482	1.363	4	117.1650	1.424	14	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	116.7050	0.000	1	116.5655	0.039	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,3|C<3>}	116.4260	0.000	1	116.5655	0.039	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.8480	0.098	2	117.8480	0.010	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	116.6490	0.000	1	116.6490	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	118.4245	0.422	2	118.2115	0.155	6	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	118.1050	0.391	4	118.2115	0.155	6	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>}	116.5320	0.000	1	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	117.5445	0.230	2	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	117.6920	0.392	2	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>}	116.5350	0.000	1	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	116.7475	0.151	2	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,1|O<1>,1|O<2>}	118.9650	0.000	1	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	117.3875	0.433	2	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	116.8333	0.548	7	117.1449	0.489	18	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.1310	0.000	1	116.7754	0.632	5	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	116.9365	0.818	4	116.7754	0.632	5	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	117.3720	0.000	1	117.3720	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	116.6880	1.598	3	116.7702	0.988	13	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	116.7948	0.864	10	116.7702	0.988	13	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	117.0263	0.090	4	117.0263	0.008	4	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.0919	0.483	8	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	116.3840	0.000	1	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|O<2>}	116.2708	0.422	4	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	117.4515	1.135	2	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	117.5335	0.444	4	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	118.5548	0.935	6	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	116.2770	0.000	1	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.9899	0.584	18	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	117.5848	2.681	5	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|S<2>}	118.0270	0.000	1	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	118.7250	0.222	2	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	116.9745	0.510	13	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|C<4>}	117.2830	0.000	1	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|O<2>}	117.0110	0.547	10	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	117.7812	0.744	90	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	117.0190	0.552	2	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	116.9417	0.924	8	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<4>}	118.0703	0.451	4	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	118.2024	0.684	24	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){3|C<3>}	117.0450	0.157	2	117.5788	0.824	206	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	116.7700	0.452	5	116.7700	0.204	5	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.0225	0.260	2	116.9393	0.407	26	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	117.8030	0.223	2	116.9393	0.407	26	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	117.0427	0.759	12	116.9393	0.407	26	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	116.8259	0.181	10	116.9393	0.407	26	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	116.1005	0.364	2	116.2953	0.180	3	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	116.6850	0.000	1	116.2953	0.180	3	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	117.4870	0.481	2	117.4870	0.231	2	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	117.9330	0.000	1	117.9330	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	117.9750	0.000	1	116.8627	0.954	6	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	116.9620	0.636	4	116.8627	0.954	6	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	115.3530	0.000	1	116.8627	0.954	6	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	116.1880	0.000	1	116.1880	0.000	1	117.4017	0.835	324	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:O-2:	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(OC)	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	120.8870	0.270	2	120.8870	0.073	2	120.1805	2.444	6	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:O-2:	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(O[6a]C[6a])(OC)	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(O[6a]C[6a])(OC){1|O<1>,4|C<3>}	122.5010	0.000	1	122.5010	0.000	1	120.1805	2.444	6	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:O-2:	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC)	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	118.3720	0.000	1	118.3720	0.000	1	120.1805	2.444	6	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:O-2:	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OC)	O(C[6a]C[6a]O[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OC){1|O<1>,2|C<3>}	119.2180	0.799	2	119.2180	0.638	2	120.1805	2.444	6	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]N[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]N[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	116.1360	0.000	1	116.1360	0.000	1	115.7050	0.139	3	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]N[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]N[5a,6a]N[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	115.4895	0.011	2	115.4895	0.000	2	115.7050	0.139	3	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	116.2330	0.000	1	116.7108	0.283	6	116.9507	0.465	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	117.0865	0.064	2	116.7108	0.283	6	116.9507	0.465	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	116.6197	0.662	3	116.7108	0.283	6	116.9507	0.465	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	118.1470	0.000	1	117.6705	0.454	2	116.9507	0.465	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	117.1940	0.000	1	117.6705	0.454	2	116.9507	0.465	8	117.3868	0.985	367	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.9362	1.718	5	117.8585	2.767	11	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.7938	1.778	6	117.8585	2.767	11	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	116.9095	2.110	4	116.9095	4.453	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0820	1.351	5	117.2483	1.625	6	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.0800	0.000	1	117.2483	1.625	6	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	116.0050	0.000	1	116.4473	0.452	3	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	116.6685	0.781	2	116.4473	0.452	3	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	115.9410	0.363	2	115.8692	0.056	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|O<2>}	115.7975	0.120	2	115.8692	0.056	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.2470	0.000	1	116.2470	0.000	1	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.9190	0.000	1	118.8604	0.683	5	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	119.0958	0.736	4	118.8604	0.683	5	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.2550	0.460	2	117.2550	0.211	2	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	119.2425	0.494	2	119.2195	1.379	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<4>,2|C<3>}	120.5910	0.000	1	119.2195	1.379	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	117.8020	0.000	1	119.2195	1.379	4	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	116.3552	1.043	4	118.2131	4.516	33	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.8006	2.125	19	118.2131	4.516	33	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.8400	2.060	10	118.2131	4.516	33	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CF3)	C(OC[6a])(F)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	116.8380	0.000	1	116.8380	0.000	1	117.8405	3.430	74	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	114.6545	0.112	2	114.6545	0.013	2	115.9729	3.715	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.8293	1.079	4	114.8293	1.164	4	115.9729	3.715	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CFFH)	C(OC[6a])(F)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.3767	0.297	3	118.3767	0.088	3	115.9729	3.715	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:O-2:	O(C[6a]C[4,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC)	O(C[6a]C[4,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	O(C[6a]C[5,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	O(C[6a]C[5,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){1|C<3>,2|H<1>,6|C<4>}	119.1776	3.107	9	118.1128	13.538	11	118.1128	13.538	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:O-2:	O(C[6a]C[5,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC)	O(C[6a]C[5,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(OC){2|Cl<1>,3|C<3>,4|C<4>}	113.3215	1.419	2	118.1128	13.538	11	118.1128	13.538	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.9383	0.048	3	117.3440	0.980	13	117.3440	0.980	13	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.0356	1.200	5	117.3440	0.980	13	117.3440	0.980	13	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.0670	0.000	1	117.3440	0.980	13	117.3440	0.980	13	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	116.2165	0.671	2	117.3440	0.980	13	117.3440	0.980	13	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.4895	0.016	2	117.3440	0.980	13	117.3440	0.980	13	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[5,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(OC){1|S<2>,3|C<4>,4|C<3>}	114.0740	1.054	2	114.0740	1.110	2	114.0740	1.110	2	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.9560	0.000	1	115.9560	0.000	1	115.9560	0.000	1	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|C<4>,2|H<1>,4|C<3>}	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.9845	0.583	2	116.9845	0.340	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	118.7410	0.000	1	117.8772	0.278	6	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.7044	0.351	5	117.8772	0.278	6	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	115.5405	2.842	2	115.5405	8.076	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	117.5140	0.000	1	118.3975	1.561	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	119.2810	0.000	1	118.3975	1.561	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	116.7730	1.669	2	115.6910	4.905	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	113.5270	0.000	1	115.6910	4.905	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.8781	1.645	26	116.7561	2.451	30	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	115.9630	0.419	4	116.7561	2.451	30	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.1780	0.000	1	116.1780	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.5610	0.000	1	117.5610	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.4380	0.000	1	113.4380	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.7922	0.185	4	118.7922	0.034	4	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(OC){1|Se<2>,1|H<1>,2|C<3>}	116.8730	0.518	2	116.8730	0.268	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.4960	0.000	1	113.4960	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	117.4685	0.517	2	117.4685	0.267	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	117.3165	0.103	2	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.5040	0.000	1	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.1015	0.176	2	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	116.7958	0.643	6	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	117.0740	0.364	5	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.1780	0.000	1	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	117.0035	0.469	2	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	116.9467	0.135	4	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|O<2>}	117.5320	0.000	2	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	117.8072	0.478	4	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.7355	0.443	6	117.2047	0.323	35	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.7360	0.000	1	119.7360	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,4|C<4>}	114.0010	0.000	1	113.2710	1.066	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>,3|C<4>}	112.5410	0.000	1	113.2710	1.066	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.0180	1.464	7	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	117.8130	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.7725	0.501	2	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.3780	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	116.9280	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	117.6197	0.300	3	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.9760	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	117.7710	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,4|C<4>}	117.2965	0.593	2	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|C<4>}	117.1335	0.466	2	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.2940	1.301	2	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	117.1690	0.000	1	117.6672	0.878	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	114.2110	0.000	1	113.3443	0.801	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	112.4240	0.000	1	113.3443	0.801	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	113.3980	0.000	1	113.3443	0.801	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.6880	0.000	1	113.7750	2.363	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.8620	0.000	1	113.7750	2.363	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(OC){1|C<3>,2|C<4>,3|H<1>}	113.7870	1.488	2	113.7870	2.213	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	117.7720	0.000	1	115.4470	8.160	8	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.8430	0.000	1	115.4470	8.160	8	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.4880	2.106	2	115.4470	8.160	8	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.1910	0.000	1	115.4470	8.160	8	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	113.9313	2.602	3	115.4470	8.160	8	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(OC){1|F<1>,1|O<1>,3|C<3>}	114.4650	0.000	1	114.4650	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	117.2570	0.477	2	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.0805	0.846	2	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	117.9177	0.636	3	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	117.3423	0.575	21	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.6017	0.501	3	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.7440	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.1560	1.030	10	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.0790	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.7290	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2240	0.147	2	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.4135	0.043	2	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	117.1310	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.1253	0.816	3	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.3275	0.030	2	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	116.4333	1.148	7	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.4490	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.2147	0.198	3	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.9988	0.115	6	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	118.0794	0.224	5	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,4|C<3>}	117.4437	0.124	4	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	117.3610	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	117.9840	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	117.4740	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	117.4240	0.000	1	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	116.5417	0.802	3	117.3578	0.583	87	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.9280	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.4350	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	114.4480	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.8100	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,5|C<4>}	115.0520	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.0845	0.097	2	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.7190	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	114.4895	1.828	2	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	115.4660	0.808	2	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.6130	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	115.5400	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	115.3110	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	121.6310	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	115.0850	2.169	7	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){3|C<3>,3|C<4>}	119.3710	0.000	1	115.3139	4.784	24	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	115.0090	0.000	1	115.0090	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|C<4>}	117.1290	0.000	1	117.1877	0.102	4	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	117.2073	0.388	3	117.1877	0.102	4	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	117.0060	0.000	1	117.2754	0.126	5	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	116.8450	0.000	1	117.2754	0.126	5	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	117.5087	0.204	3	117.2754	0.126	5	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<3>,4|C<4>}	112.5120	0.000	1	115.0763	6.001	6	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.5120	2.804	3	115.0763	6.001	6	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	114.2050	0.000	2	115.0763	6.001	6	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,3|C<3>}	117.3371	1.566	9	117.3371	2.451	9	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,2|C<3>}	119.6860	0.000	1	119.6860	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>}	117.9930	0.000	1	117.9930	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.9525	1.247	2	117.9525	1.554	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.0414	0.773	7	117.1611	0.428	21	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	117.0600	0.434	3	117.1611	0.428	21	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	117.2919	0.734	9	117.1611	0.428	21	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.2050	0.000	1	117.1611	0.428	21	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	117.0810	0.000	1	117.1611	0.428	21	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>}	116.0820	0.000	1	115.4405	0.823	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>}	114.7990	0.000	1	115.4405	0.823	2	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.9030	0.000	1	117.6153	0.573	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	117.5330	0.000	1	117.6153	0.573	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	118.4100	0.000	1	117.6153	0.573	3	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	116.9590	0.000	1	116.9590	0.000	1	116.8807	2.472	302	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[5a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.8215	0.103	2	118.8215	0.011	2	118.8215	0.011	2	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[6a]C[5a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC)	O(C[6a]C[5a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(OC){1|H<1>,1|S<2>,4|C<3>}	114.3320	1.215	2	114.3320	1.476	2	113.7290	1.829	3	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[6a]C[5a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	O(C[6a]C[5a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	112.5230	0.000	1	112.5230	0.000	1	113.7290	1.829	3	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	112.5670	0.000	1	111.9440	0.776	2	114.7750	24.432	3	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	111.3210	0.000	1	111.9440	0.776	2	114.7750	24.432	3	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,4|C<3>}	120.4370	0.000	1	120.4370	0.000	1	114.7750	24.432	3	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	119.4640	0.000	1	118.8147	0.369	7	118.0740	4.705	8	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	118.9895	0.467	4	118.8147	0.369	7	118.0740	4.705	8	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	118.1405	0.323	2	118.8147	0.369	7	118.0740	4.705	8	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	112.8890	0.000	1	112.8890	0.000	1	118.0740	4.705	8	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.0108	0.858	4	119.0108	0.736	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.4907	0.274	4	117.4907	0.075	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	112.9824	2.054	5	112.9824	4.221	5	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	119.1950	2.001	2	118.5733	1.883	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	118.1720	0.000	1	118.5733	1.883	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.7310	0.000	1	118.5733	1.883	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	113.5080	0.000	1	114.8510	3.607	2	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(OC){2|O<2>,3|C<3>}	116.1940	0.000	1	114.8510	3.607	2	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	116.3510	0.000	1	116.3510	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8100	0.000	1	116.8100	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.3243	1.430	3	116.3243	2.044	3	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	117.7140	0.000	1	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	118.2610	0.000	1	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.1285	0.281	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4123	0.531	4	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.2870	0.939	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.0012	0.485	5	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.4840	0.000	1	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.7380	0.000	1	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.8590	0.000	1	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	117.7885	0.056	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	117.4765	0.436	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	116.4260	0.897	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	116.9297	0.837	3	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.5885	0.726	2	117.4445	0.448	29	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	114.8680	0.000	1	114.8680	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.6440	0.000	1	113.6440	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	112.9610	0.000	1	112.9610	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.9270	0.000	1	115.9270	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	116.4077	0.171	3	116.4077	0.029	3	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	113.6800	0.000	1	113.6800	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	118.0670	0.000	1	118.6725	0.733	2	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	119.2780	0.000	1	118.6725	0.733	2	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	117.1250	0.616	3	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.2507	0.993	4	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,3|C<3>}	116.5750	0.000	1	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|S<4>,3|C<3>}	118.7140	0.000	1	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	117.3720	0.000	1	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	116.3550	0.000	1	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.7245	0.398	2	117.1418	0.645	13	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.8770	0.000	1	113.8770	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	115.4640	0.000	1	115.4640	0.000	1	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.8992	0.365	8	116.8992	0.133	8	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	117.1100	0.000	1	114.4680	3.709	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	113.5873	0.954	3	114.4680	3.709	4	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	116.6120	0.113	2	116.6120	0.013	2	116.7289	2.999	92	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O(C[6a]C[6,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	O(C[6a]C[6,6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	113.5490	0.000	1	113.5490	0.000	1	113.5490	0.000	1	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	113.7966	1.022	5	113.7966	1.044	5	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.6330	0.000	1	117.2776	1.311	9	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	117.7972	1.149	4	117.2776	1.311	9	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	117.6465	0.139	2	117.2776	1.311	9	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	115.6915	0.035	2	117.2776	1.311	9	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.6005	0.194	2	117.6005	0.038	2	116.2301	3.863	16	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.2000	0.000	1	118.2000	0.000	1	117.5590	0.822	2	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC)	O(C[6a]C[5,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC){1|O<2>,3|C<3>,3|C<4>}	116.9180	0.000	1	116.9180	0.000	1	117.5590	0.822	2	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.8520	0.000	1	114.2670	0.284	6	114.2670	0.284	6	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.1210	0.000	1	114.2670	0.284	6	114.2670	0.284	6	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.7430	0.000	1	114.2670	0.284	6	114.2670	0.284	6	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	O(C[6a]C[6,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])2(OC){2|C<4>,2|H<1>,5|C<3>}	114.2953	0.624	3	114.2670	0.284	6	114.2670	0.284	6	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[5,6a,6a]C[6a])(OC){1|H<1>,6|C<3>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	117.1615	0.938	2	117.1615	0.880	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	116.3201	0.984	8	116.2709	0.869	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	115.8770	0.000	1	116.2709	0.869	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<4>,3|C<3>}	116.3385	0.752	2	116.3385	0.565	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.5630	0.000	1	117.5630	0.227	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	117.8875	0.218	2	117.5630	0.227	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	116.9140	0.000	1	117.5630	0.227	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6660	0.000	1	119.6660	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	118.2600	0.000	1	117.8438	0.620	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.0950	0.686	2	117.8438	0.620	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	116.5820	0.000	1	117.8438	0.620	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|N<3>}	118.1870	0.000	1	117.8438	0.620	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.9295	0.105	2	117.9295	0.011	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<4>,1|O<2>,3|C<3>}	121.7545	2.553	2	121.7545	6.520	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.4120	1.394	9	117.4120	1.942	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	116.2987	2.577	3	116.2987	6.639	3	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	115.0470	1.138	2	115.0470	1.296	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	116.7150	0.000	1	116.7150	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	116.9150	0.566	4	116.9150	0.321	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	117.3610	0.000	1	117.3610	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.3990	0.000	1	118.3990	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	112.2000	0.000	1	112.2000	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.1220	0.711	5	117.5334	0.485	17	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.1944	0.461	11	117.5334	0.485	17	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.3200	0.000	1	117.5334	0.485	17	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	113.2690	0.161	2	113.2690	0.026	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.3790	0.000	1	117.1685	0.089	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	116.9580	0.000	1	117.1685	0.089	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	116.8227	1.086	3	116.8227	1.179	3	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	118.7130	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.2550	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|O<2>}	118.5885	0.719	2	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.6835	1.354	2	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|C<4>}	118.1984	0.516	5	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4550	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0590	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.2250	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.0535	0.059	2	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	118.7340	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,5|C<3>}	118.1590	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.4860	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){2|O<2>,4|C<3>}	118.3840	0.000	1	118.3556	0.375	20	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.1740	0.000	1	115.3785	6.448	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	113.5830	0.000	1	115.3785	6.448	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.4990	0.000	1	113.4990	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,1|C<3>,4|C<4>}	112.5710	0.000	1	112.4082	0.765	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){1|Cr<9>,2|C<3>,3|C<4>}	112.2690	1.206	3	112.4082	0.765	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	112.6630	0.000	1	112.4082	0.765	5	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.3843	0.944	3	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.0300	0.517	3	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.4565	0.073	2	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	117.2140	0.000	1	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	118.2790	0.000	1	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	118.0025	0.476	4	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.3785	0.629	2	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.0110	0.000	1	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.4445	0.142	2	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.1420	0.016	2	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	118.1910	0.000	1	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	119.0740	0.000	1	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	117.4820	0.501	3	117.7812	0.341	26	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	115.9530	0.000	1	115.9530	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.4060	0.000	1	117.4060	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	114.9960	0.000	1	114.9960	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.2780	0.000	1	117.2780	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC){1|H<1>,1|N<4>,1|O<2>,2|C<4>,3|C<3>}	114.5920	3.503	2	114.5920	12.271	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	114.0090	0.000	1	113.7446	1.101	8	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.9537	0.885	3	113.7446	1.101	8	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,3|H<1>}	114.7763	0.114	3	113.7446	1.101	8	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	112.7580	0.000	1	113.7446	1.101	8	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	114.9045	0.804	2	114.9045	0.646	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	118.4490	0.279	4	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	117.5570	0.001	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	117.1770	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.4090	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	118.3290	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.6437	0.469	4	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.4110	0.264	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	117.5100	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.8768	0.848	5	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.5030	2.749	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	117.9030	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.6770	0.798	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	118.1000	0.173	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.3569	0.700	15	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.1318	0.681	30	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	117.1890	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.0747	0.759	3	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	117.1315	0.076	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5960	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.3448	0.422	8	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.8000	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.5170	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.3593	0.599	3	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	116.6550	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	117.1230	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	117.9072	0.538	6	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	117.5385	1.071	10	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.0900	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	119.2706	1.473	12	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	118.5335	0.128	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.0183	0.706	11	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	117.7815	1.176	2	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	116.9470	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	117.1335	0.339	4	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.1580	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	117.8670	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	117.6130	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	117.7373	0.848	3	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	118.1610	0.970	3	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	118.4374	0.706	11	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	118.2570	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	118.7180	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|S<2>,2|H<1>,3|C<3>}	117.2160	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.6665	0.390	4	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	116.4430	0.000	1	117.7501	0.946	172	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.8057	1.320	3	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.3278	2.349	4	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	116.4243	5.559	3	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	112.9330	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	115.1832	2.579	15	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	114.9390	1.933	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.3535	1.027	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.2500	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	113.3995	3.652	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	113.2760	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.7330	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<1>,3|C<3>}	113.8880	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	114.1351	2.549	8	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	114.0634	1.460	5	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	115.4840	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	114.5102	0.941	4	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.4610	2.809	3	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	118.7380	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	115.5818	0.422	5	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|O<2>,3|C<3>}	116.1260	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	114.5520	0.000	1	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	115.7721	2.209	14	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	112.6645	0.852	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	114.0460	0.378	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	115.4305	2.150	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	113.0940	1.157	2	114.7945	5.035	87	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	117.4910	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|S<4>,2|C<4>}	118.2500	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	117.3380	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	116.1810	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.3830	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	118.1110	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.9440	0.000	1	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.9405	0.381	2	117.7310	0.466	9	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>}	116.8350	0.000	1	117.1545	0.166	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	117.2610	0.425	3	117.1545	0.166	4	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	116.7355	0.325	2	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<4>,2|C<3>}	117.0000	0.000	1	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	117.8020	0.000	1	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.2516	0.691	17	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.2493	0.688	10	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>}	117.2620	0.000	1	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,3|C<3>}	117.0155	0.600	2	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.1050	0.000	1	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>}	116.6700	0.223	2	117.1833	0.387	37	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.1510	0.000	1	115.1510	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>}	114.4850	0.000	1	114.4850	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.7820	0.000	1	117.7430	1.847	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|O<2>,5|C<3>}	118.7040	0.000	1	117.7430	1.847	2	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>}	115.4350	0.000	1	115.4350	0.000	1	116.8586	3.662	457	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	118.2245	2.467	2	117.1806	9.412	5	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	117.7860	0.000	1	117.1806	9.412	5	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	112.2710	0.000	1	117.1806	9.412	5	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OC){1|O<2>,3|H<1>,4|C<3>}	119.3970	0.000	1	117.1806	9.412	5	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	114.5820	0.000	1	116.9253	16.208	3	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	118.0970	4.917	2	116.9253	16.208	3	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC)	O(C[6a]C[6a,6a]C[5,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OC){2|C<4>,3|C<3>}	112.0570	0.000	1	112.0570	0.000	1	116.5262	11.582	9	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,5|C<3>}	117.0320	0.000	1	117.0320	0.000	1	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,5|C<3>}	116.0790	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|O<2>}	118.0490	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,3|H<1>,4|C<3>}	114.2650	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	115.3250	1.071	3	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,6|C<3>}	114.5630	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	113.4220	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.6870	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6,6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	113.5580	0.000	1	114.9598	2.231	10	115.1482	2.399	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,6|C<3>}	115.6400	0.000	1	115.6400	0.000	1	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(OC){2|H<1>,5|C<3>}	113.7680	0.000	1	113.7680	0.000	1	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|Br<1>,1|H<1>,5|C<3>}	113.6180	0.000	1	113.3981	0.658	9	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<2>,1|H<1>,5|C<3>}	113.4095	0.269	2	113.3981	0.658	9	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.3310	0.000	1	113.3981	0.658	9	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	113.5453	0.599	4	113.3981	0.658	9	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|Se<2>,5|C<3>}	111.6340	0.000	1	113.3981	0.658	9	113.6355	0.981	11	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,2|C<3>,2|N<3>}	116.2400	0.000	1	113.9150	2.551	13	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a,6a]O)(OC){2|N<3>,3|C<3>}	113.7212	1.500	12	113.9150	2.551	13	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.2383	1.051	12	118.2383	1.105	12	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	114.2712	2.119	35	114.2294	4.424	36	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|N<3>,4|C<3>}	112.7660	0.000	1	114.2294	4.424	36	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.2215	0.141	2	119.0023	0.599	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	119.5330	1.032	2	119.0023	0.599	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	119.2525	0.005	2	119.0023	0.599	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,2|B<3>,2|C<3>}	113.0722	0.764	13	113.0722	0.584	13	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.6970	0.000	1	116.6970	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	117.5940	0.000	1	117.5940	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	114.4335	0.660	4	114.4335	0.436	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.6385	0.583	2	117.6385	0.340	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	117.1790	0.000	1	115.3900	6.401	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.6010	0.000	1	115.3900	6.401	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.2120	0.000	1	117.2120	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	122.4620	0.000	1	122.4620	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.6740	0.000	1	117.4387	0.126	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,1|S<2>,3|C<3>}	117.3210	0.410	2	117.4387	0.126	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	114.4020	0.000	1	113.4060	1.451	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	112.9080	1.189	2	113.4060	1.451	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	119.8720	0.000	1	116.3120	8.668	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	115.1253	2.134	3	116.3120	8.668	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	118.6702	0.854	6	118.6702	0.729	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	115.0943	0.697	3	115.0943	0.486	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.0374	0.755	8	118.3106	0.510	18	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	118.5291	0.634	10	118.3106	0.510	18	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	114.3660	0.000	1	114.3660	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.5820	0.115	2	118.5797	0.382	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	118.5785	0.795	4	118.5797	0.382	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	114.2000	0.742	2	114.4472	1.081	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	114.6945	1.565	2	114.4472	1.081	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.3680	0.000	1	118.4557	0.049	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	118.5475	0.336	2	118.4557	0.049	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.3600	0.000	1	118.4557	0.049	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.4550	0.091	2	117.7206	0.371	14	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	118.2310	0.105	2	117.7206	0.371	14	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.4717	0.536	10	117.7206	0.371	14	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	113.6640	0.000	1	113.6640	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	116.9150	0.286	2	116.7926	0.382	5	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	116.2305	0.097	2	116.7926	0.382	5	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OC){1|H<1>,4|C<3>}	117.6720	0.000	1	116.7926	0.382	5	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	117.0935	0.296	2	117.1463	0.052	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	117.2520	0.000	1	117.1463	0.052	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	116.0170	0.000	1	116.0170	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OC){1|H<1>,4|C<3>}	114.2120	0.000	1	114.2120	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OC){2|C<3>,3|O<2>}	114.0735	0.795	2	114.0735	0.633	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	116.9207	0.433	9	117.0338	0.220	11	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.3580	0.000	1	117.0338	0.220	11	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OC){1|H<1>,4|C<3>}	117.7280	0.000	1	117.0338	0.220	11	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	117.2510	0.362	9	117.2510	0.131	9	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	114.2860	1.705	14	114.2860	2.906	14	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|S<2>,5|C<3>}	111.6175	0.452	2	112.2687	1.374	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|O<1>,2|O<2>,4|C<3>}	113.5710	0.000	1	112.2687	1.374	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|C<4>,1|O<2>,3|C<3>}	114.2180	0.000	1	114.0802	0.880	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|N<2>,3|C<3>}	115.2210	0.000	1	114.0802	0.880	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,3|C<3>}	113.7605	0.943	4	114.0802	0.880	6	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	113.7800	0.000	1	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	115.0233	0.817	4	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.7695	0.035	2	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	114.0210	0.000	1	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	114.1433	1.463	15	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|O<2>,3|C<3>}	113.2763	0.987	4	114.8403	8.206	27	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.9440	0.000	1	113.9440	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.3920	0.000	1	113.1740	0.095	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|H<1>,1|O<2>,3|C<3>}	112.9560	0.000	1	113.1740	0.095	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|O<2>,3|C<3>}	117.2273	0.397	3	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	117.7561	0.506	7	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.1335	0.635	10	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	117.1170	0.197	2	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	118.9170	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,3|C<3>}	117.7820	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Ge<2>,1|H<1>,3|C<3>}	118.7965	0.197	2	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	117.9010	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	117.3297	0.432	3	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.8160	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.4270	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.0330	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.5491	0.634	10	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	118.6002	1.003	4	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	117.4552	0.541	5	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.4142	0.777	21	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,1|O<2>,3|C<3>}	118.0680	0.047	2	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	116.9464	0.519	5	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,4|C<3>}	117.6650	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	117.6900	0.307	13	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	118.2630	0.051	2	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	116.1190	1.692	3	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<5>,1|H<1>,3|C<3>}	117.2675	1.400	4	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.2075	0.493	43	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.7701	0.698	12	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	119.3380	0.000	1	117.4832	0.583	159	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|C<4>,2|C<3>,2|O<2>}	113.7450	0.000	1	113.7450	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC){2|H<1>,3|C<3>}	117.7940	0.000	1	117.7940	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|O<2>}	114.7340	0.000	1	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.3620	0.000	1	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	115.1360	0.000	1	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	112.7528	1.716	6	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,3|C<3>}	115.2270	0.000	1	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	115.5600	0.000	1	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<1>,2|C<3>,2|O<2>}	113.9142	1.208	5	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	115.0588	2.018	6	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	113.4745	1.155	13	113.9037	2.417	35	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|H<1>,4|C<3>}	114.4715	0.383	2	115.2277	1.789	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	116.7400	0.000	1	115.2277	1.789	3	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	114.9400	0.000	1	114.9400	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,2|C<3>}	114.0000	1.275	4	114.0000	1.627	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,1|F<1>,5|C<3>}	110.6340	0.000	1	110.6340	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(OC){1|C<4>,1|F<1>,3|C<3>}	116.5510	0.000	1	116.5510	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|F<1>,3|C<3>}	117.9680	0.000	1	117.4152	0.953	31	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	116.5263	0.681	4	117.4152	0.953	31	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.2664	0.777	20	117.4152	0.953	31	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	120.5420	0.000	1	117.4152	0.953	31	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.9858	0.315	5	117.4152	0.953	31	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	112.8135	0.525	2	112.8135	0.276	2	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC){1|F<1>,3|C<3>,3|C<4>}	112.4103	0.427	7	112.4103	0.182	7	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC){1|F<1>,3|C<3>,3|C<4>}	113.1660	0.000	1	113.1660	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	113.1645	0.091	2	113.6967	0.508	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	114.6670	0.000	1	113.6967	0.508	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	113.7910	0.000	1	113.6967	0.508	4	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|Br<1>,3|C<3>}	116.6520	0.430	2	116.7584	0.345	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|C<2>,3|C<3>}	116.6040	0.000	1	116.7584	0.345	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.0192	0.463	9	116.7584	0.345	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	116.2635	0.738	4	116.7584	0.345	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	113.7338	1.528	9	113.8449	1.745	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|N<2>,1|O<2>,2|C<3>}	113.8170	1.253	2	113.8449	1.745	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC){1|O<2>,3|C<3>}	114.0562	1.182	5	113.8449	1.745	16	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]F)(OC){1|F<1>,3|C<3>}	122.1240	0.000	1	122.1240	0.000	1	116.1557	4.936	528	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Cu<4>,2|H<1>,3|C<3>}	117.9540	0.000	1	117.0623	0.598	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.6165	0.054	2	117.0623	0.598	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	118.8040	0.000	1	118.8040	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,3|O<2>}	117.6805	0.139	2	117.6805	0.019	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.4360	0.000	1	117.4360	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.5490	0.000	1	118.6773	0.591	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	118.7415	1.076	2	118.6773	0.591	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.5950	0.000	1	119.5950	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0519	0.745	10	117.0519	0.555	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6750	0.000	1	117.9395	1.082	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.2040	0.000	1	117.9395	1.082	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	117.9890	0.000	1	117.9890	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.5625	0.267	2	116.5625	0.071	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	118.6350	0.000	1	118.3327	0.169	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.1815	0.448	2	118.3327	0.169	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|Br<1>,1|C<3>,1|C<4>}	112.5100	0.000	1	112.7895	0.156	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	113.0690	0.000	1	112.7895	0.156	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	114.6690	0.000	1	114.6690	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.7510	0.000	1	117.7510	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	117.8680	0.000	1	118.5203	0.508	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	118.7377	0.691	3	118.5203	0.508	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	114.5250	0.000	1	114.5250	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.3360	0.086	2	118.3086	0.286	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.9697	0.494	3	118.3086	0.286	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.7895	0.644	2	118.3086	0.286	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	113.3360	0.000	1	113.3360	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	119.2780	0.000	1	119.2780	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.2376	0.526	19	118.2376	0.277	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1017	0.256	4	117.1956	0.093	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	117.5710	0.000	1	117.1956	0.093	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	119.1565	1.504	2	118.2041	0.872	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	117.7382	0.309	4	118.2041	0.872	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	118.1630	0.000	1	118.2041	0.872	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0130	0.000	1	117.0130	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5587	0.690	104	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.1617	0.838	16	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	117.5373	0.466	3	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.7007	0.590	25	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.3354	0.484	8	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.4276	0.832	5	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	117.4534	0.896	16	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.5341	0.452	15	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	118.1745	0.607	2	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4948	0.619	32	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.0250	0.571	4	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	117.0787	0.152	4	117.5064	0.459	234	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5674	2.130	8	117.5674	4.539	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6488	0.608	5	117.6078	0.306	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|Si<4>,1|C<3>,1|H<1>}	117.4030	0.000	1	117.6078	0.306	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.7532	0.979	133	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	117.6190	1.217	6	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	116.5391	1.033	51	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	117.9035	0.312	2	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	117.0264	0.289	8	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	117.0547	0.387	3	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	118.6960	0.000	1	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	117.1740	0.000	1	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	117.5150	0.119	2	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.8657	0.797	67	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	116.9110	0.000	1	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	117.1386	0.725	12	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	116.8530	0.000	1	116.8087	0.882	288	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC){2|C<3>}	116.2030	0.000	1	116.2030	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]Ir)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.7550	0.000	1	119.7550	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(OC){1|C<3>,2|C<4>}	117.6530	0.000	1	117.6530	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	115.0125	0.033	2	115.0125	0.001	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	115.8842	3.311	4	115.8842	10.962	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,2|C<3>}	117.4590	0.000	1	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5213	0.026	3	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.0720	0.000	2	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.0460	0.000	1	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	117.6645	0.141	2	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4472	0.657	6	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.0110	0.000	1	117.5148	0.212	16	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.1770	2.262	6	114.0651	2.006	24	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	113.6640	0.000	1	114.0651	2.006	24	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	113.7080	1.503	3	114.0651	2.006	24	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	114.1200	0.000	1	114.0651	2.006	24	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.1225	1.132	13	114.0651	2.006	24	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.6823	1.371	3	117.9400	0.500	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	118.0504	0.277	7	117.9400	0.500	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|N<3>}	114.2857	1.677	3	113.3453	3.105	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,2|C<3>}	112.4050	1.516	3	113.3453	3.105	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	114.7430	0.000	1	114.7430	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.9110	0.000	1	117.2856	0.792	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.0147	0.578	6	117.2856	0.792	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OC){1|N<2>,4|C<3>}	113.0550	0.000	1	113.0550	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OC){3|C<3>}	117.5200	0.431	2	117.5200	0.186	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]O)(OC){1|N<2>,2|C<3>}	117.9330	0.000	1	117.9330	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|H<1>,1|N<3>}	116.9650	0.000	1	116.9650	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	117.2116	0.613	7	117.1485	0.354	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	116.7070	0.000	1	117.1485	0.354	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	116.9580	0.000	1	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	117.0970	0.585	7	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.3206	0.513	45	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5985	0.638	6	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.2693	0.617	24	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	117.5282	0.938	5	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>}	116.5845	0.080	2	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	116.6136	0.429	5	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	117.4645	0.715	2	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|Cl<1>,2|C<3>}	117.2370	0.000	1	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.3626	0.858	163	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	117.7235	0.851	2	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.1385	0.129	2	117.3282	0.586	265	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	117.9050	0.000	1	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	116.0740	0.000	1	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.3066	0.681	7	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	117.3705	0.125	4	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	117.2177	0.823	4	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	116.7610	0.000	1	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.6936	1.087	17	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	116.8924	0.494	5	116.9623	0.756	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.1420	0.000	1	117.1420	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	111.6450	0.000	2	111.6450	0.000	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.2437	0.043	3	117.1838	0.016	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.0040	0.000	1	117.1838	0.016	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	115.0205	0.439	2	113.7850	1.148	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	113.2600	0.928	2	113.7850	1.148	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	113.2620	0.000	1	113.7850	1.148	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	112.8870	0.000	1	113.7850	1.148	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OC){1|H<1>,4|C<3>}	116.7540	0.000	1	116.7540	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	114.2520	0.000	1	114.2520	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.5777	0.798	3	114.5777	0.636	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|S<2>,3|C<3>}	112.3910	0.000	1	112.3910	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	116.9813	0.177	4	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	120.1120	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	117.3460	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.1375	1.319	8	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	117.3935	0.663	2	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.5061	0.707	10	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	117.1525	0.410	4	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.2850	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	118.1005	0.343	2	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5860	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.0310	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8655	1.650	2	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.4050	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.0310	0.391	5	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.6995	1.097	2	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	118.7002	0.448	6	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.7767	0.613	12	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	117.4992	0.914	11	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	117.6102	0.309	5	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,2|H<1>}	117.7413	0.703	3	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,3|O<2>}	117.5710	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.0270	0.000	1	117.8883	0.747	84	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	115.3260	0.099	2	114.3560	2.338	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	111.7730	0.000	1	114.3560	2.338	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	113.4690	0.000	1	114.3560	2.338	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	115.1210	1.082	2	114.3560	2.338	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])2(OC){2|H<1>,2|N<3>,3|C<3>}	113.0735	0.136	2	114.1754	0.982	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[5a]C[6a])2(OC){3|C<3>,4|O<2>}	114.5427	0.851	6	114.1754	0.982	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	113.3725	1.596	6	113.3725	2.549	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	117.4765	0.235	4	117.4765	0.055	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.8568	1.114	5	117.8181	0.854	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.7215	0.364	2	117.8181	0.854	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1196	0.630	8	117.1196	0.397	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.8220	0.000	1	117.9933	0.534	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.5790	0.192	2	117.9933	0.534	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1940	0.000	1	117.5282	0.679	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	119.1600	0.000	1	117.5282	0.679	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.2037	0.258	4	117.5282	0.679	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	112.7770	0.000	1	112.7770	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	112.6817	0.518	4	112.6817	0.268	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	113.1600	0.000	1	113.3050	0.042	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	113.4500	0.000	1	113.3050	0.042	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6630	0.000	1	117.9580	0.091	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.1055	0.228	2	117.9580	0.091	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.0187	0.550	3	115.0018	5.820	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	112.6350	0.000	1	115.0018	5.820	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	113.9413	0.500	3	115.0018	5.820	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){3|C<3>}	117.1262	3.009	4	115.0018	5.820	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	117.2690	0.000	1	117.2690	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]Br)(OC){1|H<1>,4|C<3>}	113.2640	0.595	2	113.2640	0.354	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.2176	2.438	10	117.2176	5.942	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.8880	0.000	1	117.8880	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.5120	0.000	1	114.5120	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	116.3870	1.726	3	116.3870	2.979	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	117.2450	0.526	2	117.2450	0.277	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(OC){1|C<3>,1|C<4>,1|O<2>}	116.4060	0.000	1	116.4060	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6184	0.308	5	117.6637	0.383	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|O<2>}	117.7200	0.000	1	117.6637	0.383	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	118.8220	0.000	1	117.6637	0.383	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	117.9290	0.095	2	117.6637	0.383	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	116.9045	0.892	2	117.6637	0.383	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|O<2>}	117.8470	0.000	1	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	118.0610	0.000	1	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	116.5900	0.000	1	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	116.5090	0.000	1	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3576	0.681	256	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	116.8382	4.120	35	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	116.5970	0.386	4	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.2934	0.997	12	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<4>}	117.1850	0.000	1	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.7115	0.660	49	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	117.2013	0.307	3	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.7811	0.752	7	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	117.7900	0.587	7	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.3456	0.658	19	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	116.9508	0.757	10	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.2988	0.976	89	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	117.4775	0.428	2	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.8065	0.689	28	117.3644	1.664	526	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	116.4890	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	117.9020	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.8486	0.906	379	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>}	117.9577	0.424	3	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	117.3138	0.610	13	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	117.3387	0.531	3	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	116.6784	0.738	17	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	117.0746	0.763	11	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	116.9842	0.774	10	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	116.7580	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	116.9963	0.786	4	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	116.5974	0.931	5	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	117.4287	0.605	3	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	116.7200	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|O<2>}	116.6910	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.9397	1.021	91	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	116.5580	0.000	1	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	117.3207	0.727	6	116.8922	0.819	551	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	117.6160	0.000	1	117.6160	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.8440	0.000	1	116.8440	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	116.4220	0.000	1	116.4220	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC){1|C<3>,2|C<4>}	114.6225	0.028	2	114.6225	0.001	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	115.4370	1.434	3	115.4370	2.056	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	111.9140	0.000	1	111.9140	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	118.4600	0.000	1	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.2270	0.813	61	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	117.2860	0.000	1	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.9940	0.000	1	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5917	0.620	3	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.9960	0.000	1	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>}	117.3746	0.582	12	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.6619	0.643	26	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.6700	0.358	3	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	116.6805	0.325	2	117.3823	0.560	111	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.4194	1.283	13	114.3715	1.136	22	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	113.5480	0.000	1	114.3715	1.136	22	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	113.0400	0.000	1	114.3715	1.136	22	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.5904	0.464	7	114.3715	1.136	22	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	115.6730	0.000	1	115.6730	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.8374	0.540	7	117.8374	0.292	7	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|N<2>}	114.8180	0.000	1	114.4215	0.314	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	114.0250	0.000	1	114.4215	0.314	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	113.5025	0.923	2	113.5025	0.852	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	113.4225	1.892	2	113.6056	2.425	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	113.6579	1.619	7	113.6056	2.425	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.8556	1.211	5	118.4376	0.706	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	119.3273	0.941	3	118.4376	0.706	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.4193	0.810	127	118.4376	0.706	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	119.2115	0.206	2	118.4376	0.706	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>}	119.4600	0.000	1	118.4376	0.706	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	113.1792	0.876	4	113.3690	0.756	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	114.1280	0.000	1	113.3690	0.756	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	118.3845	0.804	2	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.4050	0.000	1	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	119.1060	0.000	1	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	118.4690	0.000	1	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	119.3590	1.435	2	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OC){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	117.5290	0.000	1	118.7495	0.834	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3730	0.000	1	118.3922	0.095	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.4420	0.307	2	118.3922	0.095	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.8820	0.000	1	118.3922	0.095	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.6070	0.148	2	118.3922	0.095	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	116.4255	2.864	2	117.4778	3.169	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.1793	0.624	3	117.4778	3.169	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	114.7553	0.661	3	114.7553	0.437	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	115.8021	1.353	9	115.6989	1.518	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	115.2345	0.095	2	115.6989	1.518	11	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Pt<4>,1|N<3>,1|S<2>,4|C<3>}	115.3950	0.687	3	114.7763	1.846	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|Ti<8>,1|H<1>,2|C<4>,4|C<3>}	112.9200	0.000	1	114.7763	1.846	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	118.3980	0.000	1	117.8751	2.068	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.9920	0.000	1	117.8751	2.068	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.7957	1.478	42	117.8751	2.068	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	118.7230	0.526	2	117.8751	2.068	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	115.0090	0.000	1	115.3727	0.642	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	115.5545	1.042	2	115.3727	0.642	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4380	0.000	1	117.7130	0.151	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OC){3|C<3>}	117.9880	0.000	1	117.7130	0.151	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OC){3|C<3>}	116.9715	0.902	2	116.9715	0.813	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OC){1|C<4>,2|C<3>}	117.2510	0.000	1	117.2510	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){2|O<2>,3|C<3>}	118.0420	0.000	1	118.0420	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	116.9907	0.790	4	116.9907	0.623	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	117.8088	0.831	6	117.3912	0.563	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.3891	0.510	17	117.3912	0.563	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	117.2000	0.000	1	117.3912	0.563	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){3|C<3>}	117.2489	0.928	16	117.3912	0.563	40	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.3750	0.619	2	117.3750	0.384	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.5620	0.581	5	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	117.3546	0.741	14	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.8900	0.000	1	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.8981	0.470	42	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.7660	0.000	1	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>}	116.5770	0.328	2	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.8514	0.579	26	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|F<1>,2|C<3>}	116.9630	0.000	1	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.3212	0.793	414	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	117.9705	1.877	2	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.4373	0.641	41	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){3|C<3>}	117.2810	0.000	1	117.4028	0.596	550	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	116.9420	0.000	1	116.9420	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	117.0117	0.527	34	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	116.9730	0.302	3	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	117.0245	0.457	4	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	117.5040	0.000	1	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	117.6485	0.881	13	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.0059	0.631	114	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	117.0852	0.589	13	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	116.0428	0.511	5	117.0339	0.429	187	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	117.0030	0.000	1	117.0030	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|O<2>}	118.6280	0.000	1	118.1700	0.238	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	117.9410	0.402	2	118.1700	0.238	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]H)2(OC){3|C<3>}	116.9695	1.636	4	116.9695	2.676	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.3170	0.000	1	119.1527	0.548	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.5705	0.220	2	119.1527	0.548	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	114.2840	0.000	1	114.2840	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	114.5870	3.272	2	114.5870	10.709	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.2723	0.354	3	118.2723	0.125	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){1|C<4>,2|C<3>}	113.5130	0.000	1	113.5130	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OC){1|C<4>,2|C<3>}	117.4967	0.912	4	117.4967	0.831	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.7900	2.339	2	117.7900	5.471	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	117.1040	0.000	1	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.0670	0.000	1	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5486	0.703	8	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	118.0655	0.515	2	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	119.0860	0.000	1	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.6779	1.194	14	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	116.5910	0.000	1	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.1202	0.830	6	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OC){3|C<3>}	117.3805	0.430	11	117.6614	0.767	45	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	115.6194	0.294	5	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	113.2910	0.000	1	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	115.1750	0.000	1	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	117.4508	4.207	5	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.0834	1.357	33	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	115.1110	2.669	4	114.6738	4.351	49	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]O)2(OC){3|C<3>}	115.4905	0.112	2	115.4905	0.013	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.8685	1.180	2	117.8685	1.393	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,3|C<3>}	114.9627	2.385	6	116.0776	9.928	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.8487	3.726	3	116.0776	9.928	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	114.4540	0.000	1	116.0776	9.928	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	117.9200	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	116.7120	0.097	3	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	117.6725	0.243	2	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	117.8983	0.222	3	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.6658	0.984	25	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	116.8350	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|Cl<1>,1|O<2>,3|C<3>}	117.9900	0.170	2	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	117.1360	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.6630	0.750	5	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.7508	0.644	44	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	116.5890	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	117.9714	0.839	10	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	116.9670	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|S<3>,3|C<3>}	118.2550	0.059	2	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	118.4160	1.059	2	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.9766	0.724	22	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.9855	0.573	10	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	117.1227	0.452	4	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	119.1010	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	118.0010	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.5777	0.874	54	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.8792	0.662	18	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){5|C<3>}	118.6720	0.000	1	117.7583	0.630	214	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|O<2>,3|C<3>}	113.3550	1.004	4	113.4744	0.828	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.9520	0.000	1	113.4744	0.828	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	118.5770	2.500	2	118.5770	6.252	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	112.1635	0.989	4	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	115.0306	2.035	25	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	114.0375	0.316	2	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,2|O<2>}	114.0975	0.540	2	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	113.1470	0.301	2	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	115.2526	2.815	8	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	113.6920	0.377	3	114.5670	4.403	46	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)2(OC){1|C<4>,1|H<1>,5|C<3>}	114.3613	0.136	3	113.9983	2.316	21	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	113.9378	1.642	18	113.9983	2.316	21	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.5486	0.446	5	117.5486	0.199	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	113.5090	0.000	1	113.5090	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.4625	0.235	2	118.4797	0.217	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.4970	0.771	2	118.4797	0.217	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]B)2(OC){1|C<3>,2|H<1>}	113.0490	0.000	1	113.0490	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	113.2500	1.134	2	113.2500	1.286	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	118.1100	0.000	1	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	116.9560	0.530	2	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3254	0.378	7	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.3840	0.203	5	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.3530	0.000	1	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5864	0.391	11	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	117.0350	0.279	2	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	118.4240	0.000	1	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.4552	0.674	24	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4077	0.308	3	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	116.8370	0.000	1	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.2957	0.478	4	117.4304	0.283	62	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	114.6340	0.000	1	114.3171	4.036	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	114.4885	2.463	6	114.3171	4.036	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.2640	0.000	1	114.3171	4.036	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	113.0250	0.000	1	114.3171	4.036	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(OC){1|C<3>,1|H<1>,1|O<2>}	116.3190	0.793	4	116.3190	0.629	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	114.8655	2.405	2	115.3730	3.916	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC){1|C<4>,2|C<3>}	114.3100	0.000	1	115.3730	3.916	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Br)2(OC){1|H<1>,2|C<3>}	117.4510	0.000	1	115.3730	3.916	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Pt<4>,1|C<3>,1|F<1>}	117.1680	0.000	1	117.1680	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|C<4>}	117.5285	0.535	2	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.8285	0.468	4	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	117.3736	0.305	10	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7647	2.711	472	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	118.3229	1.092	16	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.5300	0.607	27	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.8121	1.064	325	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	117.7140	0.134	2	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	119.0440	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>}	119.3880	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,1|O<3>}	117.3055	0.455	2	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	117.6480	0.569	7	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|F<1>}	117.8860	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.1136	0.907	468	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.0691	0.699	196	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	119.0045	0.185	2	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	117.3300	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	117.4720	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.7340	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.7736	1.317	59	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	115.7560	0.000	1	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ni<4>,1|C<3>,1|O<2>}	118.2255	0.026	2	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.0637	0.613	21	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>}	118.1495	0.928	4	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|O<2>}	118.3100	0.665	4	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	117.8956	0.534	16	117.9338	2.750	1646	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	113.1870	0.000	1	114.1385	1.811	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	115.0900	0.000	1	114.1385	1.811	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	115.2630	0.000	1	115.6133	3.973	41	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	119.0740	1.697	2	115.6133	3.973	41	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	116.9210	0.762	2	115.6133	3.973	41	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	115.3581	1.895	36	115.6133	3.973	41	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	114.5760	0.000	1	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	115.4562	2.370	4	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.1452	1.494	5	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	114.9439	2.080	28	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	115.2285	1.938	32	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	115.6800	0.287	2	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.5005	1.790	39	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	114.5599	1.992	22	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.3880	1.340	9	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	114.6624	1.678	9	114.7782	3.463	151	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	113.2470	0.000	1	113.2470	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|N<3>,1|O<1>}	118.8010	0.532	3	118.8010	0.283	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	113.4360	0.000	1	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|N<2>}	114.6870	0.000	1	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	113.9615	1.178	29	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	113.7350	0.000	1	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.6890	1.451	208	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	114.2870	1.602	29	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|C<4>,1|H<1>,1|N<2>}	113.6664	0.788	7	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	113.5460	0.000	1	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	113.0540	0.000	1	113.7793	2.029	278	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.4370	0.919	2	115.4370	0.845	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.1080	0.246	2	117.3713	0.113	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.6600	0.000	1	117.3713	0.113	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.6090	0.000	1	117.3713	0.113	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7450	0.298	3	117.9814	0.151	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.3360	0.078	2	117.9814	0.151	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.1690	0.000	1	115.3905	15.440	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.6120	0.000	1	115.3905	15.440	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.1865	3.799	2	116.1865	14.435	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	114.7000	0.376	2	114.7000	0.142	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|As<3>,2|C<3>,2|H<1>}	117.6540	0.000	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	117.7333	0.664	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	118.6070	0.129	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.7495	0.139	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	118.1000	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	117.6110	0.944	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.8790	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.5256	0.668	8	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.4865	0.490	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.0512	0.482	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	118.1380	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|O<2>}	118.4633	0.518	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|O<2>}	117.1763	0.830	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	117.5990	0.420	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	117.7930	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.2480	2.364	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.2767	0.773	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.6510	0.249	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.8215	0.910	13	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.2775	0.462	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.2407	0.483	12	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	118.0812	1.122	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	117.7362	0.549	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.6090	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	118.0800	0.636	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<8>,1|C<3>,2|C<4>,2|H<1>}	118.1268	0.730	4	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.8603	0.855	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	117.5019	0.540	20	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	118.8010	0.181	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|O<2>,3|C<3>}	118.7070	0.158	2	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,3|H<1>}	117.7017	0.470	9	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.6060	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|S<2>,2|C<3>,3|H<1>}	117.2393	0.241	3	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	117.5310	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.5120	0.000	1	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.8837	0.480	6	117.9150	0.567	138	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.8230	3.814	2	117.5685	27.947	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.8880	0.000	1	117.5685	27.947	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.7120	0.000	1	117.5685	27.947	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	114.0825	0.069	2	117.5685	27.947	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[5])2(OC){2|H<1>,2|N<2>,3|C<3>}	113.5908	0.579	6	113.5908	0.336	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.8370	0.325	2	117.8370	0.106	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	112.6670	0.000	1	113.3190	0.850	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){2|H<1>,2|N<2>,3|C<3>}	113.9710	0.000	1	113.3190	0.850	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.4080	0.000	1	112.4080	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	117.3685	0.066	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	117.8770	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	117.8060	1.252	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	116.8542	0.608	4	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.1092	0.574	16	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.9645	0.734	6	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.3180	0.603	4	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.8300	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.3050	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0030	2.706	5	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.1516	1.966	7	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|O<2>}	115.3670	2.092	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	116.8040	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2385	1.245	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.0365	0.548	4	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7530	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	116.8685	0.339	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	117.6118	0.675	13	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	118.4090	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	119.1410	0.223	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8143	0.721	10	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.9385	0.320	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	118.3205	0.784	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.1520	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	119.0440	0.154	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.1559	0.557	12	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	119.3610	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|O<2>}	118.1890	0.202	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	116.8940	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.4810	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	118.0531	0.582	7	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	117.9718	0.710	5	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	119.4070	0.811	3	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.7106	0.949	8	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	117.2332	0.260	5	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Pd<5>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	116.2800	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|O<2>,1|P<4>,2|H<1>}	117.8610	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	118.3065	0.681	2	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|H<1>,2|O<2>}	117.5310	0.000	1	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	117.7057	0.582	4	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	117.7962	0.892	10	117.9191	1.103	158	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.4990	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	116.6720	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.4510	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	116.0220	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.7390	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.5360	0.173	2	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	114.7230	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|H<1>,2|O<2>}	113.2280	0.000	1	115.6007	2.077	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OC){1|H<1>,1|P<4>,3|C<3>}	119.4360	4.492	4	119.4360	20.181	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	114.7260	0.000	1	114.8403	0.590	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	114.1360	0.000	1	114.8403	0.590	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	115.6590	0.000	1	114.8403	0.590	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|H<1>}	117.0430	0.000	1	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Br<1>,1|Cl<1>,1|C<3>}	116.6365	0.675	2	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1850	0.116	2	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.3050	0.616	7	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.1210	0.000	1	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	117.4820	0.424	8	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	118.2240	0.000	1	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.3936	0.608	8	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.6460	0.000	1	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.1040	0.187	2	117.4250	0.324	33	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	113.5290	0.813	3	114.3759	1.774	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.6792	1.584	6	114.3759	1.774	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	114.6163	1.175	3	114.3759	1.774	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|C<4>}	114.2090	0.000	1	113.7772	0.563	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	114.5880	0.000	1	113.7772	0.563	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|O<2>}	114.0820	0.000	1	113.7772	0.563	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	113.4200	0.963	2	113.7772	0.563	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	112.9440	0.000	1	113.7772	0.563	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	117.1070	0.000	1	117.0613	0.192	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.1623	0.439	9	117.0613	0.192	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.5840	0.136	2	117.0613	0.192	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OC){1|C<3>,1|F<1>,1|P<4>}	114.0770	0.000	1	114.0770	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	117.1205	2.303	11	117.0078	4.688	13	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC){1|F<1>,2|C<3>}	115.3150	0.000	1	117.0078	4.688	13	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]F)2(OC){1|Ti<7>,1|C<3>,1|H<1>}	117.4600	0.000	1	117.0078	4.688	13	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.3092	0.155	4	118.3092	0.024	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|B<3>,1|C<3>,1|O<2>}	116.9010	0.000	1	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3450	0.000	1	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	117.4857	0.416	3	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	118.6155	1.606	2	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|C<4>}	117.0050	0.000	1	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	117.2000	0.374	6	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	120.1740	0.000	1	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,1|N<3>}	117.1420	0.047	2	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,2|C<3>}	117.7080	0.013	2	117.5796	0.814	19	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|O<2>}	117.3582	0.176	5	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	116.4280	0.115	2	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|F<1>,1|H<1>}	116.8820	0.050	3	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	118.5450	0.000	1	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	118.0065	0.495	11	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	117.8936	0.850	21	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	117.4220	0.813	2	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|I<1>,1|N<3>}	117.6510	0.000	1	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.7760	0.798	298	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|N<3>}	116.9780	0.191	2	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	117.4504	0.832	25	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Ir<7>,1|C<3>,1|H<1>}	117.0690	0.000	1	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	117.5875	0.046	2	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|O<2>,2|C<3>}	117.5560	0.303	3	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pd<4>,1|C<3>,1|H<1>}	118.2284	0.982	18	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pt<4>,1|C<3>,1|H<1>}	118.6975	1.392	2	117.7659	0.658	397	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|H<1>}	117.0310	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	117.4690	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	117.8540	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|C<4>}	117.9288	0.784	5	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.3534	0.575	25	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	117.1610	0.231	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	117.6138	0.809	23	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	116.8501	0.709	30	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	117.3083	0.632	30	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0441	0.979	678	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	117.3023	0.751	434	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	117.4300	0.276	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	117.1397	0.659	6	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.1869	0.466	31	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5025	0.840	155	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<3>}	117.6610	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	117.3077	0.785	3	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	116.7190	0.519	9	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<3>}	116.5144	1.182	14	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<4>}	117.5160	0.683	3	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|O<2>}	117.8752	0.510	8	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	117.3493	0.674	68	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|O<2>,1|S<2>}	116.9925	0.138	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	117.6776	0.654	12	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.1807	0.684	624	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|I<1>}	116.7770	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|O<2>}	117.2523	0.582	11	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	117.4091	0.641	12	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|C<4>}	117.5820	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.2305	0.750	13	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Cl<1>,2|C<3>}	117.3777	0.431	3	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.1719	0.817	1333	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|I<1>,2|C<3>}	116.8660	0.154	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<4>,1|C<3>,1|H<1>}	116.2960	0.000	1	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<5>,1|C<3>,1|H<1>}	115.9395	0.289	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Ir<6>,1|C<3>,1|H<1>}	116.6082	0.626	4	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>}	117.0493	0.389	10	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	117.0862	0.500	6	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	117.2854	0.797	635	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|H<1>}	117.2506	0.808	8	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	117.1360	0.140	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|S<4>,2|C<3>}	118.4660	0.669	2	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	117.0327	0.624	7	117.2014	0.666	4221	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	118.4326	0.780	7	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	118.8091	1.108	39	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<3>}	117.6660	1.012	3	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	117.9617	0.732	234	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	118.3150	0.833	25	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.8400	0.895	2	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	118.1757	0.100	3	118.1045	0.710	313	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3452	0.594	4	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|N<2>}	117.7940	0.424	4	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|N<3>}	117.2093	0.284	3	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	118.2650	0.763	3	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<2>}	117.4375	0.721	2	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	117.8594	0.525	43	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	117.2270	0.425	4	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|N<2>,2|H<1>}	117.2725	0.064	2	117.7425	0.315	65	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|Br<1>,1|C<3>}	117.2660	0.000	2	117.2673	0.197	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	116.9463	0.412	3	117.2673	0.197	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	117.1273	0.062	3	117.2673	0.197	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	117.9600	0.318	2	117.2673	0.197	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	116.8220	0.275	3	116.8220	0.076	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|Cl<1>,1|C<3>}	117.9010	0.000	1	117.9010	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	116.7917	0.403	3	116.9300	0.444	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,2|H<1>}	117.3145	0.540	4	116.9300	0.444	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|H<1>,2|C<3>}	115.8070	0.000	1	116.9300	0.444	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	116.9287	0.388	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|O<2>}	117.7250	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,2|C<3>}	117.4297	0.384	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|C<4>}	116.9880	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|O<2>}	118.2050	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	117.5582	0.702	11	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	117.5955	0.594	35	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.4568	0.765	279	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	116.8765	0.653	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<3>}	117.1570	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	117.6472	0.734	100	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	117.3250	0.503	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|I<1>}	117.1343	0.286	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	118.5524	1.826	11	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	117.5332	0.893	169	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	117.4758	0.686	6	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	117.8129	0.685	298	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	117.4575	0.758	6	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|P<4>}	117.5591	0.832	9	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<2>}	117.7344	0.629	15	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<3>}	118.1860	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|S<4>}	117.8825	0.683	4	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|I<1>,1|N<3>}	117.9615	0.095	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|N<3>}	117.0900	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<2>,1|O<2>}	117.4387	0.379	8	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	117.5081	0.699	60	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<4>,1|O<2>}	117.3985	0.310	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	117.7500	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|O<3>}	117.9635	1.320	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<3>}	117.5920	0.156	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|P<4>}	117.4380	0.283	7	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|O<2>,1|S<2>}	117.5780	0.535	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	117.3645	0.872	149	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5203	0.839	6127	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	117.6260	0.671	198	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	117.6667	0.646	7	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	117.3740	0.375	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,2|C<3>}	116.6696	1.154	46	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|O<2>}	118.3927	0.266	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Fe<6>,1|C<3>,1|H<1>}	117.4840	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	116.3100	0.000	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.3617	0.798	560	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|N<2>}	116.6125	0.472	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|C<4>}	117.2335	0.360	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|H<1>}	117.6003	1.000	18	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ir<6>,1|C<3>,1|O<2>}	118.0630	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	117.8676	1.035	12	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<2>}	118.7260	0.396	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	117.2167	0.331	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	117.4605	0.322	11	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	117.4958	0.577	221	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Os<9>,1|C<3>,1|H<1>}	117.8930	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	116.6090	3.050	38	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Pd<4>,1|C<3>,1|O<2>}	117.7868	0.663	6	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	117.7293	0.920	3	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	118.2485	0.042	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Rh<8>,1|C<3>,1|H<1>}	118.2417	0.636	4	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ru<6>,1|C<3>,1|H<1>}	117.8950	0.830	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Ru<9>,1|C<3>,1|H<1>}	118.2832	1.865	5	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|H<1>}	117.9550	0.000	1	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Si<4>,1|C<3>,1|O<2>}	118.1895	0.197	2	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){1|Sn<4>,1|C<3>,1|H<1>}	117.5002	1.131	4	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){2|Si<4>,1|C<3>}	117.1720	0.731	8	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	117.4423	0.655	25	117.5135	0.723	8516	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	113.6900	0.000	1	113.5210	0.057	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	113.3520	0.000	1	113.5210	0.057	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	114.3540	0.000	1	114.3540	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.6530	0.000	1	116.0240	5.836	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	115.7095	3.328	2	116.0240	5.836	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	111.9970	0.000	1	111.9970	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	124.5710	0.000	1	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	116.2270	1.290	2	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	115.8735	2.156	2	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	118.8275	3.388	2	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.2960	0.000	1	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	115.1880	0.000	1	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.9180	2.919	4	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	115.4264	1.449	8	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<4>,1|C<3>,1|O<2>}	115.3671	1.328	26	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|O<2>}	117.2305	3.111	8	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<6>,1|C<3>,1|O<2>}	113.1580	0.000	1	116.0275	5.447	56	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	114.7870	2.248	12	114.7870	5.053	12	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.2200	0.915	3	118.0806	0.515	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.8715	0.489	2	118.0806	0.515	5	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	117.5380	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	117.6230	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.5770	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.2782	0.585	11	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.2000	1.583	2	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,3|C<3>}	117.3810	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.0315	0.579	2	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.0043	0.381	10	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	115.3430	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Ir<6>,1|O<2>,3|C<3>}	117.9120	0.000	1	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.2260	0.387	5	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	117.2740	0.461	2	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6313	0.658	26	117.3599	0.434	64	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	117.8980	1.007	2	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	118.5137	2.748	3	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	117.1240	0.000	1	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7080	0.000	1	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.9597	1.030	3	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|O<2>}	117.5527	0.615	7	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.9953	0.373	6	117.6473	1.267	23	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC){1|N<2>,2|C<3>,2|H<1>}	116.9070	0.000	1	116.9070	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[5a])2(OC){2|N<3>,2|O<2>,3|C<3>}	119.2980	3.844	4	119.2980	14.777	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	113.8405	1.159	2	113.8405	1.343	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	117.2738	0.633	4	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	117.3650	0.000	1	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,2|C<3>,2|H<1>}	116.9545	0.407	2	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	118.0997	0.795	44	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.0310	0.000	1	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	117.5223	0.583	9	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	116.9690	0.000	1	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.2457	0.652	3	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.4925	0.619	2	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.7370	0.432	4	117.8328	0.700	71	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	117.1350	0.000	1	117.1350	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	112.9495	1.537	2	112.9495	2.361	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.0875	0.103	2	117.0875	0.011	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5015	0.118	2	117.8195	0.140	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.1590	0.000	1	117.8195	0.140	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.1160	0.000	1	117.8195	0.140	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	115.3580	0.000	1	115.3580	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	114.3480	0.000	1	114.3480	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|Br<1>,1|C<3>,1|H<1>}	114.6041	0.871	8	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	114.1795	1.534	18	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|O<2>}	114.3410	0.922	2	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|H<1>,1|I<1>}	116.1210	0.000	1	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|C<4>}	114.4433	1.329	11	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	114.2855	1.628	472	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|N<3>}	114.3443	1.167	24	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|C<4>,2|C<3>}	115.9220	0.000	1	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	114.5015	1.432	79	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|Ir<8>,1|C<3>,1|H<1>}	112.6190	0.000	1	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){1|Pd<4>,1|C<3>,1|H<1>}	113.6370	0.000	1	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O)2(OC){2|Cl<1>,1|C<3>}	117.3670	0.000	1	114.3262	2.471	619	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	114.4473	1.080	18	114.4473	1.165	18	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	117.9760	0.000	1	118.4240	0.401	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	118.8720	0.000	1	118.4240	0.401	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	117.8490	0.000	1	118.1915	0.235	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<3>,1|H<1>,3|C<4>}	118.5340	0.000	1	118.1915	0.235	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.1070	0.000	1	117.3675	0.136	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.6280	0.000	1	117.3675	0.136	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	115.0860	0.290	2	114.4830	1.133	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	113.2770	0.000	1	114.4830	1.133	3	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.1865	0.303	2	118.1865	0.092	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9865	0.493	2	117.9865	0.243	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	115.9825	3.379	2	115.9825	11.419	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	112.0093	1.027	4	112.0093	1.055	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.7996	1.283	9	119.7996	1.645	9	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.2460	0.000	1	117.7855	1.336	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	120.0360	0.000	1	117.7855	1.336	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.5090	0.530	2	117.7855	1.336	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|H<1>}	117.2065	0.470	2	117.7855	1.336	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	111.4450	0.000	1	111.4450	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.5703	0.872	6	118.4443	0.416	76	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>}	118.4240	0.000	1	118.4443	0.416	76	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0375	0.609	15	118.4443	0.416	76	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.5436	0.600	54	118.4443	0.416	76	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si)2(OC){1|C<3>,2|H<1>}	116.8132	1.468	8	116.8132	2.155	8	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|O<2>}	118.2520	0.494	2	118.2520	0.244	2	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.7531	0.901	10	118.7531	0.812	10	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.4780	0.000	1	118.4780	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	118.2720	0.000	1	118.2720	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	115.8130	0.000	1	115.8130	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]Cl)2(OC){1|C<3>}	115.9160	0.000	1	115.9160	0.000	1	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]H)2(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	117.0060	0.582	6	117.0060	0.338	6	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(H)3	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	118.7657	1.737	4	118.7657	3.017	4	117.2495	1.809	21122	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.0790	0.000	1	117.0990	0.256	4	117.3988	0.641	5	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.4560	0.174	2	117.0990	0.256	4	117.3988	0.641	5	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.4050	0.000	1	117.0990	0.256	4	117.3988	0.641	5	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:1:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	O(C[6a]N[5a,6a]C[6a])(CH3)	C(OC[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.5980	0.000	1	118.5980	0.000	1	117.3988	0.641	5	117.2054	1.999	22691	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	116.4000	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.5445	0.055	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	116.5445	0.055	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6830	0.000	1	117.6830	0.000	1	117.3213	0.290	3	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OC){1|N<2>,2|C<3>,2|H<1>}	117.1405	0.619	2	117.1405	0.383	2	117.3213	0.290	3	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.7575	1.575	2	117.7575	2.480	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	115.0093	1.843	7	115.0093	3.398	7	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5720	0.556	3	117.6753	0.867	12	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.6930	0.000	1	117.6753	0.867	12	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.5867	1.055	8	117.6753	0.867	12	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.2355	0.298	2	117.2355	0.089	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	113.2261	0.541	11	113.2261	0.293	11	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|N<2>,2|C<3>,2|H<1>}	114.6830	0.000	1	114.7430	0.007	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){2|H<1>,3|C<3>}	114.8030	0.000	1	114.7430	0.007	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	113.8245	0.168	2	113.8245	0.028	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	118.4920	0.000	1	117.9414	0.716	14	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.0895	0.149	2	117.9414	0.716	14	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0462	0.861	11	117.9414	0.716	14	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.4440	0.000	1	114.4440	0.000	1	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.7797	0.948	6	115.7797	0.899	6	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.9630	0.304	2	118.0153	0.777	9	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	118.0303	1.010	7	118.0153	0.777	9	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.9764	0.234	5	117.6380	0.731	6	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	115.9460	0.000	1	117.6380	0.731	6	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.8460	0.000	1	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	117.7103	0.787	12	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	118.8125	0.556	2	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	116.3865	1.265	4	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2100	0.722	27	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	116.8397	1.443	3	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	117.5793	0.222	3	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	118.7395	0.824	2	117.4064	0.894	54	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>,2|N<2>}	114.1140	0.256	2	114.1140	0.066	2	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.2585	0.644	4	118.2585	0.414	4	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.3202	2.879	9	115.3202	8.287	9	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	119.7160	0.000	1	118.3594	0.757	5	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	118.3545	0.528	2	118.3594	0.757	5	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.6860	0.045	2	118.3594	0.757	5	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	111.4750	0.000	1	111.4750	0.000	1	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CN)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	111.8470	1.727	3	111.8470	2.983	3	116.6839	4.011	152	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:H-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CH3)	C(OC[6a])(HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	130.7290	0.000	1	130.7290	0.000	1	130.7290	0.000	1	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCl2O)	C(OC[6a])2(Cl)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCl2O)	C(OC[6a])2(Cl)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	120.1625	0.357	2	120.1625	0.128	2	120.1625	0.128	2	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	117.9855	0.527	2	117.9855	0.278	2	117.9855	0.278	2	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	118.1450	0.000	1	118.5555	0.337	2	118.5555	0.337	2	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	118.9660	0.000	1	118.5555	0.337	2	118.5555	0.337	2	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5580	0.925	2	118.5121	0.297	8	117.5118	4.752	10	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.5288	0.632	4	118.5121	0.297	8	117.5118	4.752	10	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.4330	0.068	2	118.5121	0.297	8	117.5118	4.752	10	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[6,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	113.5105	0.817	2	113.5105	0.667	2	117.5118	4.752	10	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	119.1725	0.882	2	119.1725	0.778	2	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	116.8500	0.334	2	116.8500	0.111	2	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,3|C<3>}	114.2710	0.000	1	114.2710	0.000	1	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.8630	0.861	3	118.8630	0.742	3	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a,6a]C[6a])(OC){6|C<3>}	113.7120	0.843	2	113.7120	0.710	2	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,5|C<3>}	112.3670	0.238	2	112.3670	0.056	2	116.2553	8.034	12	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	118.6345	0.623	4	118.6345	0.388	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	119.0200	0.000	1	118.6400	0.289	2	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.2600	0.000	1	118.6400	0.289	2	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.5980	0.000	1	118.5980	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	115.1583	1.080	4	115.1583	1.166	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	115.0398	2.086	6	115.0398	4.349	6	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.8329	0.407	11	118.8329	0.166	11	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OC){1|H<1>,4|C<3>}	123.2670	1.788	2	123.2670	3.195	2	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.8000	0.000	1	117.8000	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	116.5413	0.791	4	116.5413	0.625	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.1400	2.053	4	118.3380	3.359	5	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.1300	0.000	1	118.3380	3.359	5	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|H<1>,3|C<3>}	117.8820	0.646	2	115.1871	2.913	12	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){2|H<1>,3|C<3>}	114.6481	1.256	10	115.1871	2.913	12	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(OC){2|H<1>,3|C<3>}	114.5050	2.177	4	114.5050	4.738	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	112.7260	2.783	2	112.7260	7.746	2	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.6230	0.000	1	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.2580	0.000	1	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.6325	1.199	2	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.7375	0.640	2	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4560	0.000	1	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	118.3610	0.000	1	118.0547	1.045	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	116.1300	0.000	1	116.1300	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	116.0950	0.161	2	116.9687	2.303	3	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){2|C<3>}	118.7160	0.000	1	116.9687	2.303	3	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	118.4090	0.000	1	118.4090	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.4040	0.000	1	118.4040	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.8030	0.000	1	115.3777	0.248	3	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	115.6650	0.006	2	115.3777	0.248	3	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.2070	0.000	1	118.2070	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	113.2120	0.000	1	113.2120	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	118.1873	0.334	3	118.1873	0.111	3	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.9360	0.519	3	116.9355	0.179	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.9340	0.000	1	116.9355	0.179	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2370	0.000	1	117.6607	0.116	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	117.8435	0.313	2	117.6607	0.116	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.7190	0.000	1	117.6607	0.116	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	113.8620	0.209	2	113.8620	0.044	2	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	113.5844	0.673	12	113.5844	0.452	12	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	114.3085	0.933	4	114.3085	0.870	4	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.3850	0.000	1	115.3850	0.000	1	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	116.6188	0.729	8	116.6188	0.532	8	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.1794	2.259	20	118.1794	5.104	20	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	116.9237	0.505	12	116.9237	0.255	12	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	116.5032	0.673	28	116.6583	0.779	30	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	118.8300	0.512	2	116.6583	0.779	30	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	120.0740	1.493	10	119.0991	7.411	16	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	117.4743	3.627	6	119.0991	7.411	16	116.9091	5.091	193	116.8851	5.192	377	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	115.7470	0.779	2	115.7470	0.607	2	117.2388	7.504	6	117.2388	7.504	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.9847	3.175	4	117.9847	10.079	4	117.2388	7.504	6	117.2388	7.504	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	120.6480	1.638	2	120.6480	2.682	2	120.6480	2.682	2	120.6480	2.682	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CCHH)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CCHH)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6055	0.077	2	117.6055	0.006	2	117.1759	0.088	8	117.1759	0.088	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:2:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.0327	0.155	6	117.0327	0.024	6	117.1759	0.088	8	117.1759	0.088	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](N[6a]N[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](N[6a]N[6a])2(OC){1|C<3>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	116.7290	0.000	1	116.7290	0.000	1	115.9860	1.104	2	115.9860	1.104	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	115.2430	0.000	1	115.2430	0.000	1	115.9860	1.104	2	115.9860	1.104	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5,6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	O(C[6a]C[5,6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	115.7315	0.151	2	115.7315	0.023	2	115.7315	0.023	2	116.4975	0.861	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	117.3190	0.000	1	117.2593	0.399	3	116.8805	0.840	4	116.4975	0.861	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.2295	0.890	2	117.2593	0.399	3	116.8805	0.840	4	116.4975	0.861	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	115.7440	0.000	1	115.7440	0.000	1	116.8805	0.840	4	116.4975	0.861	6	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.4170	0.000	1	117.4170	0.000	1	116.6612	0.524	4	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.1440	0.000	1	117.1440	0.000	1	116.6612	0.524	4	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,2|C<3>}	116.0420	0.000	2	116.0420	0.000	2	116.6612	0.524	4	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	116.8620	0.000	1	117.4440	0.677	2	117.4440	0.677	2	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	118.0260	0.000	1	117.4440	0.677	2	117.4440	0.677	2	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,3|C<3>}	119.3245	0.282	2	119.3245	0.080	2	118.1965	1.588	11	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.8670	0.305	2	117.8670	0.093	2	118.1965	1.588	11	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.3255	1.535	4	118.3255	2.356	4	118.1965	1.588	11	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.7190	2.004	2	117.7190	4.016	2	118.1965	1.588	11	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.0380	0.000	1	117.0380	0.000	1	118.1965	1.588	11	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.5520	0.000	1	116.5520	0.000	1	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.2550	0.000	1	118.4545	2.878	2	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	119.6540	0.000	1	118.4545	2.878	2	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.0150	0.000	1	117.0659	0.662	8	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.9303	0.775	7	117.0659	0.662	8	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	117.2310	4.329	3	117.2310	18.743	3	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC){1|H<1>,3|C<3>}	118.1965	5.679	2	118.1965	32.248	2	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.5434	1.013	33	116.5434	1.026	33	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.3460	0.000	1	117.7679	1.101	7	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.9525	1.193	2	117.7679	1.101	7	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	117.8510	0.000	1	117.7679	1.101	7	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.0910	0.788	3	117.7679	1.101	7	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.4410	0.494	4	117.4410	0.244	4	116.9691	2.316	60	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	115.0030	0.000	1	115.0030	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	112.8360	0.000	1	112.8360	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.2220	0.000	1	118.2220	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|O<2>}	113.5650	0.000	1	113.5650	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5775	0.616	2	117.5775	0.379	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.4622	1.227	20	117.4373	1.442	21	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.9380	0.000	1	117.4373	1.442	21	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.7157	1.755	4	114.7157	3.081	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.8530	0.000	1	117.8530	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.9197	2.130	3	117.9197	4.536	3	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCC)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	111.7390	0.000	1	111.7390	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0350	0.000	1	117.0350	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.5820	0.000	1	119.5820	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	119.1534	0.803	9	119.1534	0.644	9	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	116.7720	0.000	1	117.6732	1.134	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.9737	1.077	3	117.6732	1.134	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	119.5090	0.000	1	119.5090	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.7750	0.161	2	118.2943	0.653	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	117.8135	1.005	2	118.2943	0.653	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	114.2480	0.000	1	114.2480	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3416	0.785	5	117.8254	1.388	28	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9116	1.261	22	117.8254	1.388	28	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.3460	0.000	1	117.8254	1.388	28	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.7050	2.469	6	115.7050	6.097	6	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0760	0.000	1	118.0760	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	113.5200	0.000	1	113.5200	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	115.1550	0.000	1	115.1550	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	118.4627	0.695	7	118.8629	1.695	8	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<4>,2|C<3>}	121.6640	0.000	1	118.8629	1.695	8	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.2643	1.686	4	117.5481	1.797	14	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.6884	1.533	7	117.5481	1.797	14	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.5993	0.358	3	117.5481	1.797	14	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.1582	0.568	4	117.4595	1.448	24	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	117.6580	0.000	1	117.4595	1.448	24	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2667	1.416	14	117.4595	1.448	24	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	116.3180	0.000	1	117.4595	1.448	24	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.6715	0.869	4	117.4595	1.448	24	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.7700	0.000	1	117.7700	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	114.9400	0.000	1	114.9400	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCH)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	112.0990	0.000	1	112.0990	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCI)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCI)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	114.9210	0.000	1	114.9210	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCI)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCI)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.8085	0.245	2	117.8085	0.060	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.2920	0.000	1	116.2920	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.9952	3.870	4	115.9952	14.979	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.6740	0.856	2	116.6740	0.732	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	120.6381	0.655	8	120.6381	0.428	8	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	115.5663	1.979	9	115.5663	3.916	9	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.8054	1.474	5	116.8054	2.174	5	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4290	1.553	2	118.4290	2.411	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.3133	1.283	13	118.0767	1.434	20	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.6371	0.950	7	118.0767	1.434	20	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.4746	1.881	23	115.4746	3.538	23	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7475	0.053	2	117.8743	1.999	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	116.5720	0.000	1	117.8743	1.999	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9516	1.568	14	117.8743	1.999	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	118.3470	0.000	1	117.8743	1.999	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	114.2170	0.000	1	114.2170	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	118.0270	0.957	28	117.9746	0.926	33	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.6812	1.051	5	117.9746	0.926	33	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	118.5468	1.871	6	117.7628	2.939	11	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.8220	0.972	5	117.7628	2.939	11	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	119.3455	0.767	4	117.6365	1.768	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5225	1.283	60	117.6365	1.768	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CNO)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	112.5839	1.268	11	112.5839	1.608	11	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	116.2345	0.155	2	116.2345	0.024	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.6210	0.000	1	118.6210	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.1045	2.478	2	118.1045	6.143	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	116.3280	3.350	7	116.3280	11.222	7	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.0400	0.222	2	117.5085	0.892	15	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	119.8960	0.000	1	117.5085	0.892	15	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.3298	0.704	10	117.5085	0.892	15	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	116.6765	0.012	2	117.5085	0.892	15	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	117.6510	0.000	1	117.5078	0.351	10	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.4919	0.626	9	117.5078	0.351	10	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.8285	1.824	22	116.9560	4.129	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	115.8316	2.301	20	116.9560	4.129	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9672	1.143	21	116.9560	4.129	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>}	121.0120	0.000	1	116.9560	4.129	64	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	113.9970	0.000	1	113.9970	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.0404	3.256	27	115.0404	10.604	27	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	117.7450	0.000	1	117.7450	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.2190	0.000	1	117.4715	1.430	25	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.3951	1.266	21	117.4715	1.430	25	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.7567	0.810	3	117.4715	1.430	25	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	115.0245	3.693	2	115.0245	13.640	2	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.9940	0.000	1	116.9940	0.000	1	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	118.9050	0.766	6	118.4891	1.150	9	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.6573	1.255	3	118.4891	1.150	9	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.6230	0.888	9	116.8986	1.586	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	118.1700	0.000	1	116.8986	1.586	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|H<1>}	117.0498	1.611	8	116.8986	1.586	18	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	116.7127	0.361	4	116.7127	0.130	4	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	116.8045	1.179	2	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.1081	1.247	14	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	117.7210	0.000	1	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5454	1.144	62	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.2160	0.841	2	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	118.0064	0.966	7	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Mn<6>,1|C<3>,1|H<1>}	117.4670	0.000	1	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	117.9607	1.246	3	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	117.8967	2.027	3	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	117.6570	0.000	1	117.6649	1.324	96	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(COO)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	115.5963	2.919	13	115.5963	8.521	13	117.1827	3.889	656	117.1784	3.716	735	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:2:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:3:3:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-3:C-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CCH)(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CCH)(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.2730	0.048	2	116.2730	0.002	2	116.2730	0.002	2	116.2730	0.002	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	117.7925	0.289	2	117.9710	0.101	4	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	118.1495	0.302	2	117.9710	0.101	4	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	117.0250	0.000	1	117.0250	0.000	1	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	118.0480	0.000	1	118.2617	1.507	3	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	117.1550	0.000	1	118.2617	1.507	3	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	119.5820	0.000	1	118.2617	1.507	3	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	117.5917	1.113	7	117.5917	1.238	7	117.7891	0.886	15	117.7891	0.886	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.5425	0.702	6	116.5425	0.493	6	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	117.9800	0.000	1	117.9800	0.000	1	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	115.4400	0.000	1	115.4400	0.000	1	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CFNN)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CFNN)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	115.0907	1.108	3	115.0907	1.227	3	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	115.8210	0.000	1	115.8210	0.000	1	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){3|C<3>}	117.3565	0.053	2	117.3565	0.003	2	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.5310	0.000	1	117.5310	0.000	1	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	116.9660	0.000	1	116.9660	0.000	1	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	117.7837	0.620	3	117.7837	0.385	3	116.6489	1.261	19	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	117.3940	0.000	1	117.0915	0.183	2	116.8547	0.260	3	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	116.7890	0.000	1	117.0915	0.183	2	116.8547	0.260	3	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	2:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	116.3810	0.000	1	116.3810	0.000	1	116.8547	0.260	3	116.6770	1.111	22	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	118.1310	0.000	1	119.2750	2.617	2	119.0887	1.413	3	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	120.4190	0.000	1	119.2750	2.617	2	119.0887	1.413	3	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	118.7160	0.000	1	118.7160	0.000	1	119.0887	1.413	3	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	O(C[6a]C[6,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.4472	0.863	4	117.4472	0.745	4	117.4472	0.745	4	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	115.5000	0.000	1	114.9410	0.625	2	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	114.3820	0.000	1	114.9410	0.625	2	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	116.7050	0.000	1	116.7050	0.000	1	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	117.0570	0.000	1	116.9458	0.265	4	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	116.9087	0.624	3	116.9458	0.265	4	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	117.0510	0.000	1	117.2185	1.582	4	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	117.8750	1.595	2	117.2185	1.582	4	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	116.0730	0.000	1	117.2185	1.582	4	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	118.4710	0.000	1	118.4710	0.000	1	116.8096	1.515	12	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	117.7220	0.000	1	117.9120	0.224	4	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	117.9753	0.559	3	117.9120	0.224	4	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	119.0170	0.000	1	117.6736	0.957	7	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.3810	0.000	1	117.6736	0.957	7	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	117.4020	0.547	4	117.6736	0.957	7	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	118.7090	0.000	1	117.6736	0.957	7	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	118.0550	0.000	1	118.0550	0.000	1	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	117.3923	0.991	10	117.3923	0.982	10	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	116.2000	0.240	2	116.2000	0.058	2	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	117.0190	0.000	1	117.4423	1.188	9	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	119.0830	0.000	1	117.4423	1.188	9	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	117.2684	1.035	7	117.4423	1.188	9	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.1510	0.000	1	117.1510	0.000	1	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.8370	0.008	2	117.8370	0.000	2	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	115.9840	0.000	1	115.9840	0.000	1	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	117.1173	1.198	6	117.1173	1.435	6	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	118.1930	0.000	1	118.1930	0.000	1	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	117.7160	0.740	3	117.6442	0.326	5	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	117.5365	0.414	2	117.6442	0.326	5	117.4418	0.874	49	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	117.1580	0.000	1	117.1580	0.000	1	117.0680	0.016	2	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CN3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CN3)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	116.9780	0.000	1	116.9780	0.000	1	117.0680	0.016	2	117.3936	1.112	70	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCFF)	C(OC[6a])(CFFI)(F)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCFF)	C(OC[6a])(CFFI)(F)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	115.5140	0.000	1	115.5140	0.000	1	115.5140	0.000	1	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC)	O(C[6a]C[5,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(OC){1|H<1>,1|S<4>,2|O<1>,4|C<3>}	116.6020	0.000	1	116.6020	0.000	1	116.4365	0.055	2	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[5,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])2(OC)	O(C[6a]C[5,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])2(OC){1|C<3>,8|C<4>}	116.2710	0.000	1	116.2710	0.000	1	116.4365	0.055	2	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|N<2>}	115.8580	0.182	2	115.8580	0.033	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.6590	0.153	2	118.6590	0.023	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[5,6a]O)(OC){1|S<4>,2|O<1>,3|C<3>}	117.7807	0.844	6	117.7807	0.713	6	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	117.7225	1.735	2	117.7225	3.009	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	115.6440	0.000	1	117.7715	9.053	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]O)(OC){4|C<3>}	119.8990	0.000	1	117.7715	9.053	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	113.6625	0.047	2	112.9425	0.725	4	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	112.2225	0.313	2	112.9425	0.725	4	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.9295	0.327	2	117.9295	0.107	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.5526	1.239	10	117.5526	1.535	10	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.4340	0.078	2	117.4340	0.006	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]O)(OC){1|P<4>,1|S<1>,4|C<3>}	118.5345	1.678	8	118.5345	2.815	8	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]O)(OC){1|H<1>,1|S<1>,4|C<3>}	116.1795	3.154	2	116.1795	9.950	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	117.5385	0.808	2	117.5385	0.653	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.0640	0.276	2	117.0640	0.076	2	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.3490	0.000	1	117.3490	0.000	1	117.2749	3.577	47	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC)	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(OC){2|S<2>,4|C<3>}	114.2370	0.000	1	114.2370	0.000	1	113.7130	0.549	2	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	113.1890	0.000	1	113.1890	0.000	1	113.7130	0.549	2	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.5644	1.620	10	116.5644	2.624	10	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	116.9735	1.899	2	116.9735	3.605	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,3|C<3>}	115.9800	0.000	1	117.5280	4.793	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	119.0760	0.000	1	117.5280	4.793	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.1610	0.180	2	117.1610	0.032	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	117.2188	0.268	4	117.2188	0.072	4	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]O)(OC){1|Sn<4>,3|C<3>}	117.8483	0.463	4	117.8483	0.214	4	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.2024	0.880	8	117.2024	0.774	8	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.3210	0.000	1	117.9007	6.764	3	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	116.6905	2.177	2	117.9007	6.764	3	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.5350	0.000	1	117.5350	0.000	1	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	116.4205	1.710	2	116.4205	2.926	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,2|N<2>}	116.4620	0.516	2	116.4620	0.266	2	117.0965	1.655	40	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	112.4660	0.000	1	112.4660	0.000	1	113.0087	0.359	3	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	113.2800	0.525	2	113.2800	0.275	2	113.0087	0.359	3	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.7660	0.000	1	116.7660	0.000	1	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	118.4865	1.752	2	118.4865	3.068	2	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	114.0770	0.146	2	114.0770	0.021	2	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.7350	0.000	1	117.7350	0.000	1	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[5a,6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	119.0380	0.919	2	119.0380	0.845	2	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	112.4875	0.824	4	112.6805	0.554	6	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	113.0665	0.535	2	112.6805	0.554	6	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	117.8790	0.517	3	117.8790	0.267	3	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	113.8760	0.000	1	114.3180	7.399	3	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	111.8460	0.000	1	114.3180	7.399	3	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	117.2320	0.000	1	114.3180	7.399	3	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|Cu<4>,1|H<1>,3|C<3>}	118.5760	0.000	1	118.5760	0.000	1	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.3500	0.000	1	117.3500	0.000	1	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	118.8478	0.647	4	118.7811	0.296	8	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.7145	0.511	4	118.7811	0.296	8	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,2|C<4>}	117.3590	0.000	1	117.6314	0.162	7	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.7177	0.524	4	117.6314	0.162	7	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	117.5950	0.205	2	117.6314	0.162	7	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>}	119.7160	0.000	1	119.7160	0.000	1	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	115.3283	3.636	12	115.3283	13.222	12	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.2600	1.052	2	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.5868	1.365	6	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	118.5830	0.782	2	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.1649	0.966	14	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>,3|C<3>}	118.5545	2.029	4	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	118.0855	0.922	16	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.3662	0.404	6	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	117.7450	0.351	4	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	117.9828	1.006	6	118.2029	0.978	60	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	116.1180	0.000	1	118.4945	11.296	2	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>}	120.8710	0.000	1	118.4945	11.296	2	117.4357	4.932	112	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC)	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(OC){7|C<3>}	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(OC){1|H<1>,1|N<2>,5|C<3>}	114.4078	1.285	6	114.4078	1.650	6	114.2203	1.856	16	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	114.1582	1.613	6	114.1582	2.601	6	114.2203	1.856	16	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	114.6470	1.430	2	114.6470	2.044	2	114.2203	1.856	16	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CSeHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CSeHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	113.4175	1.630	2	113.4175	2.657	2	114.2203	1.856	16	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|Br<1>,1|N<2>,3|C<3>}	118.8205	0.566	2	117.8695	0.886	55	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.5870	0.834	2	117.8695	0.886	55	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	117.8825	0.913	51	117.8695	0.886	55	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,1|N<2>,3|C<3>}	115.7950	0.000	1	115.7950	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]O)(OC){1|N<2>,1|S<2>,3|C<3>}	116.2060	0.000	1	116.2060	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	119.6740	0.000	1	119.6740	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.3460	0.288	2	117.3460	0.083	2	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	113.1240	0.000	1	113.1240	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	113.1610	0.000	1	113.1610	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	119.0560	0.000	1	119.0560	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(OC){5|C<3>}	117.9220	0.000	1	117.9220	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	119.0777	0.909	6	119.0777	0.826	6	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	115.6600	0.000	1	115.6600	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.6270	0.163	2	117.7826	2.810	17	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	119.3060	0.000	1	117.7826	2.810	17	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6961	1.807	14	117.7826	2.810	17	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	116.9963	0.744	4	117.3884	1.058	18	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.5005	1.093	14	117.3884	1.058	18	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.7540	0.000	1	117.7540	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){2|H<1>,5|C<3>}	116.7810	0.000	1	116.7810	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.1375	0.930	2	118.4420	0.753	13	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.6792	0.644	11	118.4420	0.753	13	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.3160	0.000	1	118.3160	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCo2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCo2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.6245	0.247	2	116.6245	0.061	2	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)(OC){1|H<1>,1|S<2>,3|C<3>}	113.6390	0.000	1	113.6390	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	117.6440	0.000	1	117.6440	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	123.1090	0.000	1	123.1090	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	119.1480	0.000	1	119.1480	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.0180	0.000	1	118.0180	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.1000	0.000	1	118.1000	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	121.0200	0.000	1	121.0200	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.6550	1.111	3	116.6550	1.235	3	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OC){2|H<1>,3|C<3>}	115.9160	0.000	1	115.9160	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	115.8090	0.712	3	115.8090	0.507	3	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.2695	4.774	2	117.4455	1.676	50	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	116.7885	0.762	2	117.4455	1.676	50	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	117.8565	0.356	2	117.4455	1.676	50	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.4170	0.464	2	117.4455	1.676	50	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.3717	1.145	42	117.4455	1.676	50	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	117.6453	0.984	4	117.6863	0.511	7	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.7410	0.268	3	117.6863	0.511	7	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6497	0.791	4	117.6497	0.626	4	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CMo2C)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CMo2C)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.1410	0.000	1	118.1410	0.000	1	117.6626	1.896	200	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.4407	2.107	6	117.5030	3.725	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.8770	0.000	1	117.5030	3.725	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.1400	0.000	1	116.1400	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.5920	0.098	2	118.5920	0.010	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|N<3>}	114.2810	0.000	1	114.2810	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.0782	1.589	16	117.0782	2.524	16	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	120.2160	0.000	1	117.6972	1.667	17	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.5397	1.153	16	117.6972	1.667	17	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	117.0344	2.455	12	117.0344	6.029	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	117.5560	0.255	3	118.2226	2.384	27	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.3059	1.620	24	118.2226	2.384	27	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.6338	0.755	4	118.6338	0.570	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.7250	1.189	2	117.7250	1.415	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	120.3577	1.424	4	119.0382	2.390	22	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.4338	1.559	12	119.0382	2.390	22	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.3673	1.037	6	119.0382	2.390	22	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	117.3080	0.000	1	118.3769	1.670	18	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	118.7839	1.299	12	118.3769	1.670	18	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	118.1845	0.426	2	118.3769	1.670	18	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	117.2333	1.121	3	118.3769	1.670	18	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	117.4340	0.000	2	117.8455	0.226	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.2500	0.000	1	117.8455	0.226	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.2640	0.000	1	117.8455	0.226	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	117.2870	0.000	1	118.4565	0.877	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.8463	0.635	3	118.4565	0.877	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	120.5590	0.000	1	119.3475	2.935	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFF)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	118.1360	0.000	1	119.3475	2.935	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.2060	0.000	1	117.2060	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.2200	0.000	1	118.2200	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.4470	0.630	4	117.4470	0.397	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.4714	0.388	8	117.4714	0.151	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	117.8570	0.000	1	117.2288	4.158	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.0616	2.277	8	117.2288	4.158	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	117.9380	0.000	1	117.2288	4.158	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OC){1|O<2>,3|C<3>}	119.7020	0.109	2	119.7020	0.012	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	112.8555	0.762	2	112.8555	0.580	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>}	118.8830	0.008	2	118.8830	0.000	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.2480	0.000	1	118.1761	0.208	15	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.3527	0.341	11	118.1761	0.208	15	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.5047	0.152	3	118.1761	0.208	15	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.1110	0.000	1	116.3130	0.115	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	116.4140	0.412	2	116.3130	0.115	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.5855	1.229	13	118.5855	1.509	13	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC){1|H<1>,6|C<3>}	114.7622	2.519	4	114.7622	6.346	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	114.8660	1.109	3	114.8660	1.230	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.9317	1.579	6	117.9317	2.494	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	113.2010	0.597	2	114.2007	2.765	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){5|C<3>}	115.2005	1.985	2	114.2007	2.765	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.4154	0.897	7	118.2589	0.970	25	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.2810	0.739	7	118.2589	0.970	25	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.1452	1.219	11	118.2589	0.970	25	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	117.5384	0.679	9	117.4221	0.549	30	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.3723	0.776	21	117.4221	0.549	30	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	117.8720	1.095	2	117.8720	1.198	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	116.0365	2.575	6	117.6017	6.845	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	117.6059	2.607	12	117.6017	6.845	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.5563	0.135	3	117.6017	6.845	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.7610	3.005	3	117.6017	6.845	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.1490	0.107	2	119.1443	0.006	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.1350	0.000	1	119.1443	0.006	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.4820	0.000	1	117.4168	0.039	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.6680	0.000	1	117.4168	0.039	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.2585	0.030	2	117.4168	0.039	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	116.9027	2.058	3	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	118.2118	1.021	14	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7672	1.156	67	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	119.0972	0.450	6	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.3779	1.094	20	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.1913	1.893	89	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	115.3850	0.000	1	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.7190	1.061	15	118.1089	2.328	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	113.5547	0.919	4	113.9867	1.223	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	114.0320	0.000	1	113.9867	1.223	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	115.6690	0.000	1	113.9867	1.223	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	113.5540	1.005	4	113.5540	1.010	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	113.3841	0.749	9	113.6393	2.885	179	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.6345	1.761	162	113.6393	2.885	179	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	114.0238	1.067	8	113.6393	2.885	179	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8987	1.128	3	118.7605	5.336	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.9205	0.518	2	118.7605	5.336	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	113.9830	0.000	1	118.7605	5.336	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.6783	2.835	4	118.7605	5.336	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	119.1320	0.000	1	118.7605	5.336	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	118.2585	3.495	2	118.2585	12.217	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.7655	0.738	2	119.7655	0.544	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.3440	0.000	1	117.3440	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	114.7010	0.000	1	114.7010	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	115.9680	0.000	1	116.3910	0.358	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.8140	0.000	1	116.3910	0.358	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	118.7073	4.315	3	118.7073	18.616	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	119.3660	0.000	1	119.2195	0.043	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	119.0730	0.000	1	119.2195	0.043	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|N<3>}	113.5585	0.596	2	117.7059	3.549	31	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	117.5310	0.000	1	117.7059	3.549	31	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	118.3100	1.706	20	117.7059	3.549	31	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	117.2544	1.030	8	117.7059	3.549	31	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.1443	1.068	7	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	117.2231	0.912	12	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.4144	1.055	7	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	117.0115	2.309	4	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.8430	0.527	7	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	114.7027	2.700	3	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.0909	1.069	20	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.6259	0.777	10	117.0531	1.539	70	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	118.0560	0.157	2	118.0560	0.025	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|O<2>}	119.9604	0.702	5	119.8305	0.496	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	119.1810	0.000	1	119.8305	0.496	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	117.3010	0.000	1	117.3010	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.6420	0.000	1	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.3949	1.639	8	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	117.8543	0.912	6	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.0320	0.477	4	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.3266	0.609	14	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	117.3337	1.496	6	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<2>}	118.6590	0.554	2	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	118.2405	0.146	2	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0907	1.162	358	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	116.6000	0.000	1	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.8854	0.667	11	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	117.4977	1.058	3	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<3>,2|C<3>}	118.7950	0.000	1	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	117.7396	1.455	16	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Pt<4>,1|C<3>,1|H<1>}	117.4021	1.678	8	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	117.9383	1.153	4	118.0389	1.357	445	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.2430	0.000	1	116.2430	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	119.2985	0.527	2	118.7078	1.065	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	118.1170	1.233	2	118.7078	1.065	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0340	0.000	1	118.0340	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	113.2235	1.900	2	113.2235	3.610	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,1|H<1>,1|N<3>}	115.5055	1.159	6	115.4347	2.313	25	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	115.4124	1.646	19	115.4347	2.313	25	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(OC){1|Sn<4>,1|C<3>,1|H<1>}	118.1058	0.442	4	118.1058	0.195	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(OC){1|C<3>,1|F<1>,1|H<1>}	115.1080	0.000	1	115.1080	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	114.0512	0.405	4	114.0512	0.164	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	114.4980	0.000	1	114.4980	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	116.7310	0.000	1	116.7310	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	119.6840	0.000	1	118.6587	1.511	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.1460	1.202	2	118.6587	1.511	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.3025	0.128	2	117.3025	0.016	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	119.4665	0.607	2	117.6835	1.908	14	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.3863	1.244	12	117.6835	1.908	14	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.2860	0.000	1	117.2860	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|F<1>}	116.0825	0.383	2	116.0825	0.146	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	113.5110	0.000	1	113.5110	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.6403	1.505	4	117.6403	2.265	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	118.2664	1.086	5	118.2664	1.180	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.9485	0.675	2	117.4789	1.057	30	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.1600	0.720	4	117.4789	1.057	30	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.4095	1.017	24	117.4789	1.057	30	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	114.6750	0.048	2	114.6750	0.002	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	116.8530	0.000	1	117.6757	0.773	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0870	0.728	2	117.6757	0.773	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	113.1650	0.000	1	113.1650	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCoOO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCoOO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.9550	0.000	1	118.9550	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CEuOO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CEuOO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.3333	1.760	3	118.3333	3.098	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	115.8960	0.173	2	115.8960	0.030	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	114.2290	2.321	2	114.2290	5.386	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>}	117.1987	0.118	3	117.1987	0.014	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC){1|C<3>,1|H<1>}	116.8890	0.000	1	116.8890	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFFH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFFH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	118.9270	1.669	2	118.9270	2.785	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFHH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFHH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.9090	0.000	1	117.9090	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	119.0470	0.000	1	119.0470	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	115.1870	0.000	1	115.1870	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>}	117.5730	0.000	1	117.5730	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.8260	0.000	1	117.8373	0.131	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.7520	0.000	1	117.8373	0.131	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.8081	0.431	8	117.8373	0.131	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.0025	0.279	2	117.8373	0.131	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.0664	0.832	7	118.2185	0.778	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	119.2830	0.000	1	118.2185	0.778	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|B<6>,1|C<3>,1|H<1>}	118.4290	0.000	1	118.4067	0.039	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1990	0.000	1	118.4067	0.039	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>}	118.5920	0.000	1	118.4067	0.039	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.1120	0.821	16	119.1120	0.673	16	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]B[5])(OC){1|H<1>,2|O<2>,4|C<3>}	116.1710	0.000	1	116.1710	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	121.0553	4.211	4	125.6899	108.348	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){5|C<3>}	130.3245	13.334	4	125.6899	108.348	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]O)(OC){1|P<4>,2|C<3>}	117.6820	0.130	2	117.6820	0.017	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	116.9640	0.000	1	117.8013	0.942	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|O<2>,4|C<3>}	118.2200	0.912	2	117.8013	0.942	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.3720	0.676	3	117.9483	0.518	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.5247	0.546	3	117.9483	0.518	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	118.1285	0.484	4	118.1644	0.396	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>}	117.3860	0.000	1	118.1644	0.396	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	118.6255	0.798	2	118.1644	0.396	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	114.1070	0.000	1	114.1070	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Sn)(C[6a]C[5a,6a]O)(OC){1|S<2>,2|C<3>}	118.3420	0.463	3	118.3420	0.214	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.6655	3.119	2	115.2660	14.462	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]Te)(C[6a]C[6a]O)(OC){1|Te<2>,2|C<3>}	114.9161	4.063	8	115.2660	14.462	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.3737	1.895	3	119.0248	2.323	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	119.2740	0.000	1	119.0248	2.323	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.7290	0.000	1	119.0248	2.323	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|O<2>}	117.8910	0.000	1	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	117.6393	1.152	4	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1782	0.951	112	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<2>}	119.6510	0.000	1	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.8676	0.916	7	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.2940	0.000	1	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.5573	0.717	58	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.9455	0.595	4	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>}	117.9100	0.000	1	118.3145	0.813	189	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|O<2>}	113.5060	0.000	1	114.7760	3.226	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.0460	0.000	1	114.7760	3.226	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	111.7110	0.000	1	111.7110	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.5505	0.752	11	115.5505	0.566	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.8490	0.129	2	117.8490	0.017	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.4640	1.665	5	119.4640	2.772	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5117	0.770	6	119.5117	0.592	6	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0810	0.000	1	118.0810	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|F<1>}	116.8590	0.740	2	116.8590	0.547	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.3651	0.590	9	118.3651	0.349	9	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	118.4210	0.000	1	118.4210	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	118.3910	0.000	1	118.2313	0.791	28	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	117.7350	1.471	2	118.2313	0.791	28	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	118.2646	0.881	25	118.2313	0.791	28	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	117.2870	0.000	1	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.0847	1.686	18	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.4490	0.000	1	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	116.6240	0.379	4	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.7196	0.566	14	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	118.4530	0.000	1	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.4993	1.264	216	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	117.6865	0.976	4	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	116.9300	0.311	2	117.4703	1.569	261	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	119.5450	0.766	4	119.5450	0.587	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	118.7240	0.000	1	118.7240	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	118.9590	0.000	1	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	117.8685	0.530	2	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.1095	0.312	4	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0500	0.666	199	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|H<1>,1|N<2>}	117.3992	0.503	4	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	119.0565	0.641	2	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.8160	0.000	1	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<2>}	117.4220	0.000	1	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	117.6730	0.000	1	118.0451	0.443	215	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.7585	0.889	2	118.4158	0.420	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.0730	0.000	2	118.4158	0.420	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.5560	0.000	1	120.5560	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	115.4290	0.000	1	115.4290	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	113.2843	2.254	3	113.1640	3.445	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	112.8030	0.000	1	113.1640	3.445	4	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	113.8330	1.410	5	113.8330	1.990	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.0335	0.066	2	119.0335	0.004	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(OC){1|H<1>,2|C<3>}	117.4965	0.084	2	117.4965	0.007	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	117.7865	0.694	2	117.7865	0.481	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.6699	1.562	16	117.8293	2.075	57	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.8915	1.406	41	117.8293	2.075	57	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.2241	1.871	22	115.2241	3.500	22	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.9519	1.108	17	117.9519	1.229	17	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.4630	1.321	26	116.4630	1.744	26	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	118.4300	0.000	1	118.4300	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.1610	0.709	3	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.6315	0.796	40	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.2920	0.000	1	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|N<3>,1|O<2>}	115.6920	3.329	2	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.8683	1.603	134	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	117.6530	2.671	4	117.7955	2.247	184	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	116.9800	0.453	2	116.9800	0.205	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1555	0.607	2	118.1555	0.369	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.5936	0.651	7	117.5936	0.423	7	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	117.7540	0.177	2	117.7540	0.031	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.2343	1.296	21	117.2343	1.680	21	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	117.2885	0.309	2	117.2885	0.095	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	115.5380	0.000	1	117.2519	0.912	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	117.5630	0.949	5	117.2519	0.912	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	117.4890	0.973	2	117.2519	0.912	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.1730	0.801	4	117.2519	0.912	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	116.5830	0.421	2	116.5830	0.178	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.0240	0.667	5	119.0240	0.444	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	113.4000	1.065	3	113.4000	1.134	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.7550	2.944	2	118.7550	8.669	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.2430	0.000	1	117.0980	0.737	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.8597	0.436	9	117.0980	0.737	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	117.3111	1.271	14	116.8142	1.376	59	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.6596	1.111	45	116.8142	1.376	59	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	116.3480	0.000	1	116.3480	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	118.5655	2.584	2	117.1445	4.105	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.1857	0.834	10	117.1445	4.105	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.7653	1.299	6	117.1445	4.105	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.9990	0.318	2	117.1445	4.105	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4728	1.444	4	117.1445	4.105	24	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,3|C<3>}	115.8534	3.459	7	115.8389	7.622	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	115.8135	1.217	4	115.8389	7.622	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	116.2410	0.000	1	116.2410	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.3751	1.126	9	118.3751	1.267	9	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	115.2179	0.920	16	115.2179	0.847	16	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.5140	0.000	1	117.5140	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.8475	0.875	38	118.0202	2.591	214	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.6189	1.723	14	118.0202	2.591	214	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9998	1.743	156	118.0202	2.591	214	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.2465	1.222	6	118.0202	2.591	214	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.0934	1.526	10	114.3435	2.783	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	116.8440	0.000	1	114.3435	2.783	11	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.7585	2.358	74	113.7585	5.562	74	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7193	0.843	12	118.7193	0.711	12	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.0360	0.000	1	117.9913	0.974	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.9310	0.000	1	117.9913	0.974	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	119.0070	0.000	1	117.9913	0.974	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3459	1.171	12	118.3256	1.079	19	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	118.5918	0.691	5	118.3256	1.079	19	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	118.1840	0.000	1	118.3256	1.079	19	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	116.8930	0.000	1	118.3256	1.079	19	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.7200	0.000	1	117.7520	1.874	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	116.7840	0.000	1	117.7520	1.874	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	117.5825	0.549	2	117.5825	0.302	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	117.6675	1.247	2	117.6675	1.554	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	117.4350	0.000	1	117.4350	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<2>,1|C<3>,1|H<1>}	117.8373	0.875	3	117.7628	1.633	72	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1110	0.000	1	117.7628	1.633	72	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	117.3195	0.668	2	117.7628	1.633	72	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.7676	1.321	66	117.7628	1.633	72	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|Br<1>,1|C<3>,1|H<1>}	117.2599	1.161	8	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|H<1>}	117.3127	0.775	6	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.9336	1.902	34	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<2>}	118.2950	1.411	2	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	116.5813	1.223	23	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<4>}	118.6840	0.000	1	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	117.1687	1.032	6	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|S<2>}	115.9880	4.057	3	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.9474	1.443	448	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.0887	0.802	15	116.9489	2.127	546	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	119.1430	0.027	2	119.1430	0.001	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	116.5565	0.142	2	116.5565	0.020	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	116.9432	0.697	10	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	117.7672	1.041	50	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.3097	1.002	3	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.4522	1.071	5	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5071	1.134	141	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	117.6805	0.898	15	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.2645	0.043	2	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.3825	0.093	2	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	119.9115	1.350	2	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	118.0047	1.046	7	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Pt<6>,1|C<3>,1|H<1>}	119.2880	0.000	1	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	116.5720	0.444	2	117.6094	1.227	240	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	114.3745	0.510	2	114.3745	0.260	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,1|C<4>,1|H<1>}	115.3165	1.905	6	114.8795	3.300	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O)2(OC){3|C<3>}	114.2240	1.702	4	114.8795	3.300	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	114.4430	0.000	1	114.4430	0.000	1	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	114.7861	2.854	8	114.7861	8.143	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.5663	1.486	3	117.5663	2.208	3	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	111.4720	0.000	1	115.2756	5.326	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	116.2265	1.036	4	115.2756	5.326	5	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	118.7475	0.919	2	118.7475	0.844	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.9043	1.731	8	116.9043	2.996	8	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.9680	0.793	10	117.9680	0.629	10	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	119.9260	0.000	1	115.3340	42.173	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	110.7420	0.000	1	115.3340	42.173	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.5720	0.535	2	118.5720	0.286	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CRuCH)(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CRuCH)(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.7845	0.941	2	117.7845	0.886	2	117.3538	3.732	4019	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.7755	0.943	2	117.7755	0.888	2	117.6757	0.474	3	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>}	117.4760	0.000	1	117.4760	0.000	1	117.6757	0.474	3	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CHHP)	C(OC[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CHHP)	C(OC[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	117.8012	0.708	4	117.8012	0.501	4	117.8012	0.501	4	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHP)	C(OC[6a])(PCCO)(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHP)	C(OC[6a])(PCCO)(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	115.1403	0.955	4	115.1403	0.913	4	115.1403	0.913	4	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:1:1:	3:3:2:	C[6a]-3:C-4:	O-2:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CSiHH)	C(OC[6a])(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CSiHH)	C(OC[6a])(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.5017	0.565	3	119.5017	0.319	3	119.5017	0.319	3	117.3493	3.702	4457	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:2:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.0020	0.000	1	119.0020	0.000	1	118.4975	7.452	4	118.4975	7.452	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:2:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	114.5560	0.000	1	114.5560	0.000	1	118.4975	7.452	4	118.4975	7.452	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:2:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CH3)(OC)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CH3)(OC)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	120.2160	0.812	2	120.2160	0.659	2	118.4975	7.452	4	118.4975	7.452	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.1625	0.289	2	118.1625	0.084	2	118.1625	0.084	2	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	121.2380	0.000	1	121.2380	0.000	1	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.6425	0.488	4	119.6425	0.238	4	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	120.3407	1.945	4	120.4320	4.167	8	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	120.5232	2.433	4	120.4320	4.167	8	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.4780	0.000	1	118.4780	0.000	1	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.8870	0.324	7	117.8870	0.105	7	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.8360	0.955	5	117.8360	0.913	5	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.8050	0.000	1	117.7465	0.007	2	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.6880	0.000	1	117.7465	0.007	2	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	118.6080	0.000	1	118.6080	0.000	1	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	117.6107	0.795	4	118.1276	0.592	25	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	118.9060	0.472	4	118.1276	0.592	25	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0939	0.724	16	118.1276	0.592	25	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	117.6200	0.000	1	118.1276	0.592	25	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:3:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CHHN)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CHHN)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.0830	0.000	1	119.0830	0.000	1	118.5910	1.857	55	118.5759	1.799	57	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	119.4455	0.261	2	119.4455	0.068	2	118.9707	0.506	4	118.9707	0.506	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	119.0200	0.000	1	119.0200	0.000	1	118.9707	0.506	4	118.9707	0.506	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.9720	0.000	1	117.9720	0.000	1	118.9707	0.506	4	118.9707	0.506	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC)	O(C[6a]C[5,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCCH)	C(OC[6a])(CCHH)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCCH)	C(OC[6a])(CCHH)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.9460	0.744	2	120.9460	0.553	2	120.9460	0.553	2	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	118.4473	2.288	3	118.5152	3.509	4	118.5152	3.509	4	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.7190	0.000	1	118.5152	3.509	4	118.5152	3.509	4	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCCH)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCCH)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.3960	0.000	1	116.3960	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	117.6017	0.357	3	117.6017	0.128	3	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.9607	4.194	3	118.7692	14.341	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	121.1950	0.000	1	118.7692	14.341	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.1360	0.400	6	119.3454	0.441	7	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	120.6020	0.000	1	119.3454	0.441	7	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.4725	0.426	2	119.4725	0.182	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,3|C<3>}	114.2555	0.186	2	116.4160	10.153	9	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	114.5540	0.000	1	116.4160	10.153	9	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	115.6930	1.159	3	116.4160	10.153	9	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<3>,3|C<3>}	116.4820	0.000	1	116.4160	10.153	9	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|P<4>,3|C<3>}	120.5590	5.459	2	116.4160	10.153	9	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	118.6815	2.855	2	118.6815	8.149	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pd<4>,2|H<1>,3|C<3>}	120.0170	0.000	1	119.1277	1.012	3	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OC){1|Pt<4>,2|H<1>,3|C<3>}	118.6830	0.915	2	119.1277	1.012	3	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	120.6350	0.000	1	119.9252	0.432	5	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	119.6120	0.899	2	119.9252	0.432	5	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	119.8835	0.465	2	119.9252	0.432	5	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|P<4>}	117.5775	2.190	6	117.4409	3.787	12	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OC){1|Si<4>,1|C<3>,1|H<1>}	117.3043	1.868	6	117.4409	3.787	12	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.6540	0.000	1	119.6540	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	117.7450	2.188	2	117.7450	4.786	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.0280	0.000	1	119.2880	0.452	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	119.3747	0.795	3	119.2880	0.452	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	119.7175	0.488	4	119.7838	0.154	6	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<3>,3|C<3>}	119.9165	0.050	2	119.7838	0.154	6	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	120.6710	0.000	1	120.6710	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.2050	0.000	1	119.2050	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	120.0782	2.002	4	119.5365	6.157	11	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.2269	2.820	7	119.5365	6.157	11	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	115.8470	0.000	1	116.1125	0.141	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.3780	0.000	1	116.1125	0.141	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	114.1553	2.161	10	114.1553	4.671	10	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	118.1050	2.653	4	118.1050	7.040	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	120.1820	0.000	1	120.0115	0.058	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.8410	0.000	1	120.0115	0.058	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	114.4020	0.000	1	114.4020	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	122.1700	0.000	1	122.1700	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	120.1090	0.000	1	119.7355	0.613	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	119.6110	0.909	3	119.7355	0.613	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	118.8640	0.102	2	118.4452	0.282	6	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	118.2357	0.539	4	118.4452	0.282	6	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	119.0180	0.000	1	120.3303	1.551	3	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	120.9865	0.721	2	120.3303	1.551	3	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	118.2865	0.489	2	118.2865	0.239	2	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	118.5880	0.000	1	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.4530	0.095	2	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	119.6720	0.832	2	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	119.3860	0.451	3	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.0594	1.157	18	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	120.2930	0.000	1	119.1985	1.017	27	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	118.6475	0.639	2	118.5533	0.291	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4590	0.656	2	118.5533	0.291	4	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.8080	0.000	1	119.8080	0.000	1	118.4268	5.161	141	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:1:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC){1|N<3>,2|O<1>}	121.2100	3.950	2	121.2100	15.602	2	121.2100	15.602	2	118.4920	5.361	151	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:2:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC3)	C(OC[6a])(CH3)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC3)	C(OC[6a])(CH3)2(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	117.6779	0.999	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:2:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	119.1320	0.000	1	119.1320	0.000	1	117.5549	1.024	7	117.6779	0.999	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:2:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2120	0.873	5	117.2120	0.763	5	117.5549	1.024	7	117.6779	0.999	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:2:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6920	0.000	1	117.6920	0.000	1	117.5549	1.024	7	117.6779	0.999	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CC3)	C(OC[6a])(CH3)2(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CC3)	C(OC[6a])(CH3)2(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	119.4230	0.000	1	119.4230	0.000	1	119.4230	0.000	1	119.4230	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	119.5650	0.000	1	118.6370	1.722	2	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.7090	0.000	1	118.6370	1.722	2	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.7640	0.000	1	117.7640	0.000	1	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	115.2160	0.000	1	115.2160	0.000	1	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CNO)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.1579	1.100	9	119.1579	1.209	9	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:3:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(COO)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	121.2772	1.232	15	121.2772	1.519	15	120.0655	3.518	28	120.0655	3.518	28	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	124.5280	0.000	1	124.5280	0.000	1	124.0895	0.385	2	124.0895	0.385	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:2:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Sn<3>,1|C<3>,1|H<1>}	123.6510	0.000	1	123.6510	0.000	1	124.0895	0.385	2	124.0895	0.385	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.0830	0.000	1	119.0830	0.000	1	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHO)(CH3)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHO)(CH3)2	C[6a](C[6a]C[6a]C)2(OC){1|H<1>,2|C<3>}	118.9877	0.936	3	118.9877	0.876	3	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,1|N<2>,1|O<2>,2|C<3>}	122.2450	0.000	1	122.2450	0.000	1	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Br<1>,1|C<3>,1|F<1>}	121.2265	1.269	2	121.2265	1.611	2	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	124.1560	1.881	6	124.1560	3.537	6	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	2:4:4:4:	3:3:2:	C[6a]-3:C-4:	O-2:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.9925	1.397	4	118.9925	1.951	4	121.2735	7.437	17	121.2735	7.437	17	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	117.5720	0.703	2	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|H<1>}	114.9180	0.000	1	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	119.7505	0.438	2	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	117.8360	0.000	1	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	116.8445	0.351	4	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	117.6685	0.589	2	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	116.5263	1.025	3	117.3129	1.751	15	117.3129	1.751	15	117.3129	1.751	15	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	116.8773	1.428	4	116.8773	2.041	4	117.3870	1.622	8	117.3870	1.622	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.7770	0.908	2	117.7770	0.824	2	117.3870	1.622	8	117.3870	1.622	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	116.9500	0.000	1	116.9500	0.000	1	117.3870	1.622	8	117.3870	1.622	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	2:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	119.0830	0.000	1	119.0830	0.000	1	117.3870	1.622	8	117.3870	1.622	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC){1|O<2>,2|C<3>,2|H<1>}	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	116.2170	0.000	1	115.9555	0.137	2	115.9555	0.137	2	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	115.6940	0.000	1	115.9555	0.137	2	115.9555	0.137	2	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	116.5760	0.000	1	116.5760	0.000	1	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	116.7450	0.000	1	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|H<1>,1|N<2>}	116.3750	0.000	1	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	116.9598	0.405	5	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|H<1>}	117.4870	0.000	1	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	117.7625	0.795	2	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|O<1>,2|N<3>}	119.1225	0.217	2	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|S<2>,2|N<2>}	117.1730	0.000	1	117.4115	0.837	13	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.3570	0.000	1	116.9940	1.303	3	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	117.9100	0.000	1	116.9940	1.303	3	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|H<1>,2|C<3>}	115.7150	0.000	1	116.9940	1.303	3	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.6930	0.000	1	117.1738	0.661	22	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	116.6666	1.063	5	117.1738	0.661	22	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	116.9610	0.989	2	117.1738	0.661	22	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	117.3483	0.697	14	117.1738	0.661	22	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	118.2750	0.000	1	115.8100	4.611	3	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	114.5775	0.329	2	115.8100	4.611	3	117.1229	1.034	42	117.1438	1.333	47	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CC[6a]N)(OC[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CC[6a]N)(OC[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[4]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[4]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.2060	0.000	1	118.2060	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	116.7060	0.000	1	116.7060	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.7290	0.000	1	116.7290	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.4310	0.317	2	116.4310	0.100	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.0795	0.477	2	119.0795	0.228	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	113.6810	0.000	1	113.6810	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	116.3290	0.000	1	116.3290	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	118.0490	0.339	2	118.0490	0.115	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	117.8300	0.000	1	118.0850	0.193	3	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.2125	0.537	2	118.0850	0.193	3	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	112.1525	0.081	2	112.1525	0.007	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.5260	0.000	1	116.5260	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	113.8450	0.000	1	113.8450	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2200	1.780	2	117.2200	3.170	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]C)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]C)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	114.7890	1.219	2	114.7890	1.486	2	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.6750	0.000	1	117.6750	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.8500	0.000	1	118.8500	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.6123	1.235	3	116.6123	1.526	3	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.1930	0.000	1	116.1930	0.000	1	116.5812	3.843	28	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.2910	0.000	1	116.2910	0.000	1	117.2885	1.990	2	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.2860	0.000	1	118.2860	0.000	1	117.2885	1.990	2	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.4013	0.774	3	117.4013	0.599	3	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	116.4655	1.467	2	117.1504	2.116	5	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	116.7215	0.204	2	117.1504	2.116	5	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.3780	0.000	1	117.1504	2.116	5	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	115.7998	2.346	14	115.7998	5.506	14	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.3925	0.374	2	116.3925	0.140	2	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	116.4957	0.979	6	116.4957	0.958	6	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	116.9780	0.000	1	116.4374	0.818	5	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.3023	0.985	4	116.4374	0.818	5	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]N[5]O[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.3470	0.000	1	116.3470	0.000	1	116.3735	2.867	36	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>,2|H<1>}	118.3590	0.000	1	118.3590	0.000	1	114.0363	14.472	3	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,1|O<2>,2|C<3>}	111.8750	0.957	2	111.8750	0.917	2	114.0363	14.472	3	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>,2|H<1>}	116.6090	0.402	2	116.6090	0.161	2	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.8830	0.000	1	117.8830	0.000	1	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.5110	0.000	1	117.5110	0.000	1	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	114.7490	0.000	1	114.7490	0.000	1	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.4400	0.789	2	116.4400	0.623	2	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.3760	0.154	2	117.3760	0.024	2	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.7063	0.097	3	116.7063	0.009	3	116.7593	0.701	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	113.5900	0.000	1	113.5900	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.3740	0.000	1	118.3740	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.4710	0.000	1	117.4710	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.7390	1.905	4	116.7390	3.629	4	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.7835	0.121	2	117.1210	0.349	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.7960	0.000	1	117.1210	0.349	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	114.7005	0.981	2	114.7005	0.962	2	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.7440	0.000	1	116.7440	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.7260	0.033	2	116.5175	0.575	4	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.3090	1.245	2	116.5175	0.575	4	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	119.6020	0.000	1	117.2127	1.154	12	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.9955	0.804	11	117.2127	1.154	12	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	116.6620	0.000	1	117.1220	0.197	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	117.5480	0.000	1	117.1220	0.197	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.1560	0.000	1	117.1220	0.197	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	116.5328	3.949	10	116.5328	15.598	10	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.3030	0.000	1	117.3030	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.6450	0.000	1	118.6450	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.5210	0.000	1	116.5210	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	115.3887	0.255	3	115.3887	0.065	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5100	1.477	9	117.4481	1.977	10	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.8910	0.000	1	117.4481	1.977	10	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.8670	0.000	1	117.6419	0.412	12	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.7654	0.669	8	117.6419	0.412	12	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	117.2377	0.608	3	117.6419	0.412	12	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	116.3980	0.000	1	116.3980	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	115.6565	0.524	2	115.6565	0.275	2	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.1823	1.298	7	118.1823	1.684	7	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	115.8420	0.000	1	115.8420	0.000	1	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.6981	0.622	7	118.6981	0.387	7	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9650	0.839	2	117.9650	0.703	2	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3777	0.608	3	117.3777	0.370	3	117.1808	3.098	93	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(OC){2|H<1>,2|O<2>,3|C<3>}	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	112.7940	0.000	1	112.7940	0.000	1	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.4670	0.000	1	117.4670	0.000	1	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	115.9980	0.000	1	116.7463	3.146	15	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	119.0585	0.217	2	116.7463	3.146	15	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.4233	1.692	12	116.7463	3.146	15	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.0031	1.313	9	116.0031	1.724	9	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.1577	0.532	4	118.1577	0.283	4	116.6038	3.005	30	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]Cl2)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]Cl2)	C(C[6a]C[6a]2)(OC[6a])(Cl)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.9070	0.263	3	119.9070	0.069	3	119.9070	0.069	3	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[5,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(OC){1|O<2>,3|C<3>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	O(C[6a]C[5a,6a]C[6,6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	113.9940	0.000	1	113.9940	0.000	1	113.9940	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OC){1|O<2>,4|C<3>}	112.9280	0.000	1	112.9280	0.000	1	116.1545	3.112	6	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.1980	0.000	1	117.1980	0.000	1	116.1545	3.112	6	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0750	0.000	1	117.0060	0.873	3	116.1545	3.112	6	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	116.4715	0.180	2	117.0060	0.873	3	116.1545	3.112	6	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	115.7830	0.000	1	115.7830	0.000	1	116.1545	3.112	6	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	113.2260	0.000	1	113.2260	0.000	1	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	115.7930	2.223	3	115.7930	4.943	3	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.2040	0.000	1	119.2040	0.000	1	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.1190	0.000	1	118.5743	0.272	4	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	119.1120	0.000	1	118.5743	0.272	4	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.5330	0.561	2	118.5743	0.272	4	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.4310	0.000	1	116.3417	0.698	3	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.7970	0.389	2	116.3417	0.698	3	116.9276	4.247	12	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|S<4>,3|C<3>}	117.8290	0.000	1	117.8290	0.000	1	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,4|C<3>}	111.0640	0.000	1	111.0640	0.000	1	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	114.0015	2.399	2	114.0015	5.756	2	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>,2|O<2>}	112.5880	0.000	1	112.5880	0.000	1	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|I<1>,1|O<2>,3|C<3>}	115.7060	0.758	2	118.0736	2.709	10	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	119.4494	0.557	5	118.0736	2.709	10	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,4|C<3>}	117.4620	0.000	1	118.0736	2.709	10	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.3075	0.586	2	118.0736	2.709	10	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,3|C<3>}	113.3145	0.366	2	113.3145	0.134	2	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	116.3830	0.484	4	116.3830	0.234	4	116.3039	6.719	21	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5025	0.648	2	117.5025	0.420	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	116.0200	0.929	2	116.0200	0.863	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	117.4355	0.555	2	116.8432	0.390	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	116.2790	0.000	1	116.8432	0.390	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.5330	0.198	2	116.8432	0.390	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	118.2185	0.401	2	118.2185	0.161	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7710	0.236	3	118.0667	0.387	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.9540	0.000	1	118.0667	0.387	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6210	0.429	2	117.6210	0.184	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.9745	1.181	13	116.9745	1.396	13	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.1160	1.079	3	118.4230	1.023	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	118.1890	0.677	2	118.4230	1.023	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.1200	0.000	1	118.4230	1.023	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	117.1150	0.000	1	118.4230	1.023	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	114.9370	0.000	1	114.9370	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1683	0.681	4	117.1683	0.464	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	111.2320	0.000	1	111.2320	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.9100	0.000	1	118.9100	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OC){1|O<2>,4|C<3>}	122.5450	0.847	2	122.5450	0.718	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.4112	0.948	6	116.7843	1.723	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.0230	0.000	1	116.7843	1.723	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	120.0750	0.000	1	120.0750	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|C<4>}	118.8270	0.000	1	118.8270	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.7100	0.000	1	119.7150	2.020	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	120.7200	0.000	1	119.7150	2.020	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	119.0430	0.000	1	119.0430	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	116.9835	2.736	13	116.9835	7.487	13	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.1530	1.377	2	117.1153	0.596	11	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	116.7795	0.753	4	117.1153	0.596	11	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.3688	0.629	5	117.1153	0.596	11	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	118.5910	0.000	1	117.7310	0.453	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.3040	0.000	1	117.7310	0.453	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){3|C<3>}	117.5145	0.586	2	117.7310	0.453	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|O<2>,2|C<3>}	113.1860	0.000	1	113.1860	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<3>,3|C<3>}	115.9915	0.837	2	117.0500	2.420	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|O<2>,1|P<4>,3|C<3>}	117.7827	2.202	3	117.0500	2.420	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.0095	0.521	2	117.0500	2.420	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(OC){1|C<3>,2|H<1>}	112.8020	0.301	2	112.8020	0.091	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	113.9020	0.000	1	113.9020	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	114.6565	3.205	2	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.2904	1.349	26	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>}	116.8460	0.483	3	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	117.9550	0.410	3	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.6104	1.678	9	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.4981	1.262	13	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.9503	1.156	90	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	118.6565	0.012	2	117.9532	1.721	148	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	115.3785	1.778	6	115.0547	3.369	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	113.1120	0.000	1	115.0547	3.369	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<2>,1|C<3>}	113.7370	0.000	1	113.2425	0.489	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>}	112.7480	0.000	1	113.2425	0.489	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|C<4>,1|O<2>}	113.7090	0.000	1	113.6177	3.516	46	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.6157	1.896	45	113.6177	3.516	46	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7535	0.781	2	119.3570	0.777	3	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.5640	0.000	1	119.3570	0.777	3	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	114.1670	0.000	1	114.1670	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.6780	0.000	1	118.6780	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	113.9370	0.000	1	113.9370	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.9010	0.000	1	118.8532	1.068	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2880	0.000	1	118.8532	1.068	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1490	0.000	1	118.8532	1.068	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	119.7600	0.000	1	118.8532	1.068	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	120.1680	0.000	1	118.8532	1.068	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	118.9780	0.283	2	118.7596	0.528	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.5110	0.000	1	118.7596	0.528	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.1655	0.216	2	118.7596	0.528	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|Cl<1>,1|C<2>,1|C<3>}	114.5340	0.638	2	114.5340	0.407	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	118.9340	0.000	1	117.2692	2.665	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.7143	1.466	3	117.2692	2.665	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|H<1>}	117.1780	0.000	1	117.1780	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	115.4703	1.269	4	115.4703	1.610	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	116.9352	1.115	4	117.8700	2.360	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	120.0610	0.000	1	117.8700	2.360	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	118.6440	0.966	2	117.8700	2.360	7	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.8989	1.370	19	117.1749	1.242	74	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	118.0430	1.178	2	117.1749	1.242	74	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	116.8330	0.000	1	117.1749	1.242	74	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.4107	1.042	38	117.1749	1.242	74	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	116.8099	0.800	14	117.1749	1.242	74	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	116.9710	0.000	1	116.9710	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	119.0130	0.000	1	117.2810	6.000	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	115.5490	0.000	1	117.2810	6.000	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	116.2335	0.175	2	116.2335	0.031	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	118.3530	0.000	1	118.3530	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	117.3597	0.872	3	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|Br<1>,1|C<3>,1|H<1>}	117.2350	0.000	1	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	119.2965	0.467	2	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	117.1266	1.056	5	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|N<2>}	117.2810	1.023	3	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	117.7316	1.069	28	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	116.6110	0.000	1	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	116.0090	0.000	1	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	117.5540	1.557	3	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	117.8153	0.700	17	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<3>}	116.9860	0.000	1	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	117.2562	1.182	4	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3611	1.168	229	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<4>,1|O<1>,1|O<2>}	117.7100	0.000	1	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	117.1470	0.569	4	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|C<3>}	117.3060	1.395	4	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	117.4102	1.159	8	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	118.5190	0.879	6	117.4381	1.285	321	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	112.5755	0.254	2	112.5755	0.064	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.4400	0.000	1	114.4400	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	117.4920	1.052	2	117.4863	0.554	3	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.4750	0.000	1	117.4863	0.554	3	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	114.1633	0.820	3	113.9917	0.566	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	113.4770	0.000	1	113.9917	0.566	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OC){1|C<3>,1|H<1>}	114.5750	0.000	1	114.5750	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	115.4074	2.885	10	114.9885	6.681	14	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	113.9412	1.391	4	114.9885	6.681	14	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	117.5420	0.000	1	117.5420	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	113.2366	2.314	8	113.2366	5.355	8	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	114.3430	0.000	1	114.3430	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	117.0245	0.356	2	117.0245	0.127	2	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	120.3430	0.000	1	120.3430	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	118.3632	1.792	4	118.3632	3.213	4	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.9472	2.344	4	118.0137	1.979	16	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.0358	1.095	12	118.0137	1.979	16	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	116.8890	0.000	1	116.8890	0.000	1	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.4967	2.477	3	118.1004	4.042	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	119.7700	0.000	1	118.1004	4.042	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	118.2420	0.000	1	118.1004	4.042	5	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	118.2810	0.000	1	117.9239	0.568	12	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.8915	0.781	11	117.9239	0.568	12	117.1403	3.358	811	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.5884	3.116	5	114.5884	9.708	5	114.5884	9.708	5	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.8620	0.743	3	116.8620	0.552	3	117.7252	3.349	4	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	N[5a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CN[5a]HH)	C(N[5a]N[5a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	120.3150	0.000	1	120.3150	0.000	1	117.7252	3.349	4	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C-4:	P-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.6590	1.479	3	113.6590	2.188	3	113.6590	2.188	3	117.0414	3.534	1077	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	116.1460	1.307	2	116.1460	1.708	2	118.5906	15.495	9	118.5906	15.495	9	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	120.1790	0.000	1	120.1790	0.000	1	118.5906	15.495	9	118.5906	15.495	9	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	124.7010	0.291	2	124.7010	0.085	2	118.5906	15.495	9	118.5906	15.495	9	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.3605	2.092	4	116.3605	4.375	4	118.5906	15.495	9	118.5906	15.495	9	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:3:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	119.1760	0.000	1	119.1760	0.000	1	117.1800	7.968	2	117.1800	7.968	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:3:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	115.1840	0.000	1	115.1840	0.000	1	117.1800	7.968	2	117.1800	7.968	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:3:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	121.1230	0.000	1	121.1230	0.000	1	119.9777	1.463	3	119.9777	1.463	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:3:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.7130	0.000	1	118.7130	0.000	1	119.9777	1.463	3	119.9777	1.463	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:3:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	120.0970	0.000	1	120.0970	0.000	1	119.9777	1.463	3	119.9777	1.463	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	2:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	118.4760	0.562	7	118.4760	0.316	7	118.4760	0.316	7	118.4760	0.316	7	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.1270	0.000	1	116.1270	0.000	1	115.7605	0.269	2	115.7605	0.269	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	115.3940	0.000	1	115.3940	0.000	1	115.7605	0.269	2	115.7605	0.269	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.6570	0.000	1	116.6570	0.000	1	117.9115	0.704	6	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	117.8490	0.000	1	117.8490	0.000	1	117.9115	0.704	6	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	118.5770	0.000	1	118.5770	0.000	1	117.9115	0.704	6	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CN[5]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(CN[5]O)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.1287	0.824	3	118.1287	0.679	3	117.9115	0.704	6	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[5]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]CH)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]CH)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:C-4:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.6103	0.288	3	118.6103	0.083	3	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.1405	0.416	2	117.1405	0.173	2	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.3580	0.000	1	118.3580	0.000	1	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	117.2080	0.482	2	117.2080	0.233	2	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	119.7095	0.561	2	119.7095	0.314	2	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	116.0500	0.000	2	116.0500	0.000	2	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){2|H<1>,3|C<3>}	117.0275	0.596	2	117.0275	0.355	2	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.0530	0.000	1	117.0530	0.000	1	117.7009	1.437	15	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	N[5a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:1:	3:3:2:	C[6a]-3:C-4:	N[6]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[6]CH)	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CN[6]CH)	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	118.0388	1.493	25	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:2:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.8440	0.783	2	119.8440	0.614	2	119.8440	0.614	2	119.8440	0.614	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:3:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:O-2:C-4:C-3:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	122.6970	0.013	4	122.6970	0.000	4	122.6970	0.000	4	122.6970	0.000	4	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:4:	3:3:2:	C[6a]-3:C-4:	C-3:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC3)	C(CC[6a]C[5])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC3)	C(CC[6a]C[5])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	120.4103	3.327	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[5a]-3:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5a]CC)	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5a]CC)	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.4103	3.327	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[6]-3:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	120.4103	3.327	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.0150	0.000	1	118.0150	0.000	1	118.0150	0.000	1	118.1376	0.252	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	118.0610	0.000	1	118.0610	0.000	1	118.4950	0.377	2	118.1376	0.252	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	118.9290	0.000	1	118.9290	0.000	1	118.4950	0.377	2	118.1376	0.252	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.1460	0.000	1	118.1460	0.000	1	117.8415	0.185	2	118.1376	0.252	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C-4:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.5370	0.000	1	117.5370	0.000	1	117.8415	0.185	2	118.1376	0.252	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:3:3:2:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]3)	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]3)	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	122.1090	0.000	1	122.1090	0.000	1	122.1090	0.000	1	122.1090	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:4:2:1:	3:2:2:	C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:4:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.1190	0.000	1	117.1190	0.000	1	116.4961	6.841	8	116.4961	6.841	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:4:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	116.9978	2.561	6	116.9978	6.558	6	116.4961	6.841	8	116.4961	6.841	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	3:4:2:1:	3:3:2:	C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	112.8630	0.000	1	112.8630	0.000	1	116.4961	6.841	8	116.4961	6.841	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	2:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	116.5310	0.577	2	117.5173	1.625	4	117.5782	1.237	5	117.5782	1.237	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	2:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	118.5035	0.807	2	117.5173	1.625	4	117.5782	1.237	5	117.5782	1.237	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	2:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC)	O(C[6a]N[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	117.8220	0.000	1	117.8220	0.000	1	117.5782	1.237	5	117.5782	1.237	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	2:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	117.8480	0.000	1	117.8480	0.000	1	117.4677	0.113	3	117.4677	0.113	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	2:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	117.2775	0.094	2	117.2775	0.009	2	117.4677	0.113	3	117.4677	0.113	3	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.3050	1.414	2	117.3050	2.000	2	117.2278	1.070	6	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.3780	0.000	1	117.3780	0.000	1	117.2278	1.070	6	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	116.4015	0.367	2	116.4015	0.135	2	117.2278	1.070	6	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	118.5760	0.000	1	118.5760	0.000	1	117.2278	1.070	6	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	118.9500	0.000	1	118.9500	0.000	1	117.8385	2.471	2	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:2:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	116.7270	0.000	1	116.7270	0.000	1	117.8385	2.471	2	117.3805	1.198	8	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCFF)	C(CN[5a]FF)(OC[6a])(F)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCFF)	C(CN[5a]FF)(OC[6a])(F)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.1475	0.431	2	117.1475	0.185	2	117.1475	0.185	2	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.9925	1.160	4	118.9925	1.345	4	118.9925	1.345	4	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	114.0540	0.000	1	114.0540	0.000	1	112.8850	1.292	3	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC)	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC){2|H<1>,5|C<3>}	112.3005	0.730	2	112.3005	0.534	2	112.8850	1.292	3	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4513	1.017	6	118.4513	1.035	6	118.4513	1.035	6	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	117.2080	0.000	1	117.2080	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	115.5810	0.000	1	115.5810	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	119.7170	0.000	1	119.7170	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	117.8930	0.000	1	117.8930	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.2790	0.000	1	114.2790	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	116.8040	0.000	1	116.8040	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.5048	0.508	4	117.5048	0.258	4	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	114.2900	0.000	1	114.2900	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.0930	1.533	2	117.0930	2.350	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0030	0.199	2	118.0030	0.040	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	115.6925	0.368	2	115.6925	0.136	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.8180	0.134	2	117.8180	0.018	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	119.6940	2.150	2	119.6940	4.621	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	112.7675	1.416	2	112.7675	2.006	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6930	0.000	1	118.5505	0.041	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4080	0.000	1	118.5505	0.041	2	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|H<1>}	117.7380	0.000	1	117.7380	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.9275	1.485	6	116.9275	2.206	6	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3943	1.210	17	117.3943	1.465	17	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.8610	0.000	1	117.8610	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.0430	0.000	1	117.0430	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9740	0.000	1	118.9740	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3447	0.866	16	117.3447	0.750	16	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	119.1935	0.928	2	118.3643	2.494	3	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.7060	0.000	1	118.3643	2.494	3	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1490	0.610	2	118.1947	1.752	11	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.4271	1.345	9	118.1947	1.752	11	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	114.7300	0.000	1	114.7300	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.9433	0.512	3	116.5200	0.522	5	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	115.8850	0.470	2	116.5200	0.522	5	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	117.4002	1.215	10	117.5160	1.019	19	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.9773	0.689	6	117.5160	1.019	19	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	116.9793	0.449	3	117.5160	1.019	19	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.2720	0.000	1	117.2720	0.000	1	117.3525	2.016	108	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[5a,6a]C[6a])(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.1120	0.000	1	117.1120	0.000	1	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.3730	0.736	4	117.3730	0.541	4	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.3240	0.000	1	117.3240	0.000	1	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	117.7350	0.571	2	117.7086	1.191	5	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	117.6910	1.489	3	117.7086	1.191	5	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3130	1.024	2	117.3130	1.048	2	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)2(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	115.3620	0.000	1	115.3620	0.000	1	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	118.1330	0.000	1	118.1330	0.000	1	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.5060	0.000	1	118.5060	0.000	1	117.4436	0.927	16	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3x6]HH)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3x6]HH)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.7110	0.000	1	118.7110	0.000	1	117.9980	1.017	2	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3x6]HH)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[3x6]HH)	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	117.2850	0.000	1	117.2850	0.000	1	117.9980	1.017	2	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4,5]C[4]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	118.6512	0.580	13	118.6512	0.336	13	117.9101	1.227	21	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.8905	0.331	4	116.8905	0.109	4	117.9101	1.227	21	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4]N[4]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[4]HH)	C(C[4]C[4]N[4]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.5215	0.625	4	116.5215	0.391	4	117.9101	1.227	21	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	112.3520	0.369	2	112.3520	0.136	2	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	118.2313	1.336	3	118.2313	1.786	3	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.7815	1.231	2	117.7815	1.516	2	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.9825	1.316	8	117.9825	1.733	8	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	116.5355	2.276	4	116.5355	5.179	4	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	116.1750	0.653	2	116.1750	0.427	2	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<4>}	116.5953	0.649	3	116.6549	0.900	11	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	116.6773	1.079	8	116.6549	0.900	11	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.1660	0.000	1	117.1660	0.000	1	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]HH)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.8146	1.410	21	117.8146	1.987	21	117.2554	2.882	54	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC)	O(C[6a]C[5a,6a]C[6a,6a])(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(OC){5|C<3>}	116.5445	0.131	2	116.5445	0.017	2	116.5445	0.017	2	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.6140	0.000	1	117.6140	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	114.1540	0.000	1	114.1540	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.1240	0.000	1	117.1240	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	118.5234	1.854	8	118.5234	3.436	8	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.1165	1.141	2	117.1165	1.301	2	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	113.9040	0.000	1	113.9040	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	115.1160	2.321	2	115.1160	5.386	2	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.3140	0.000	1	117.9640	0.497	3	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	118.2890	0.600	2	117.9640	0.497	3	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.2680	0.000	1	117.2680	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	125.5360	0.000	1	125.5360	0.000	1	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|F<1>}	117.5500	0.000	1	117.6683	0.642	3	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[6]HH)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	117.7275	1.124	2	117.6683	0.642	3	117.7145	6.156	24	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	P-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]2Au)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]2Au)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	111.3761	2.431	8	111.3761	5.911	8	112.6115	8.620	11	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	P-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]C[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CHHP)	C(PC[6a]C[6]O)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	115.9060	0.165	3	115.9060	0.027	3	112.6115	8.620	11	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:1:1:	3:3:2:	C[6a]-3:C-4:	Si-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CSiHH)	C(SiC[6a]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CSiHH)	C(SiC[6a]2C)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.1927	3.931	256	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HH)(OC[6a])(CC)(H)	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HH)(OC[6a])(CC)(H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	117.6085	0.386	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C-4:	C[5,5]-4:O-2:C-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	117.6085	0.386	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:3:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	114.0780	0.243	2	114.0780	0.059	2	114.0780	0.059	2	114.0780	0.059	2	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	115.5350	0.000	1	115.5350	0.000	1	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	116.4640	0.000	1	116.4640	0.000	1	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	115.1325	0.712	2	115.1325	0.507	2	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]O)2(OC)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	117.5087	1.575	6	117.5087	2.481	6	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.2450	3.096	2	117.2450	9.583	2	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:1:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.1160	0.000	1	116.1160	0.000	1	116.7632	2.802	13	116.7632	2.802	13	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:2:	3:3:2:	C[6a]-3:C-4:	C-4:O-2:C-4:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[3]-4:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[3]CC)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a]2)(CC[3]CC)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	119.3860	5.864	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	117.4920	0.000	1	117.4920	0.000	1	118.2287	3.519	3	119.3860	5.864	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]C)2(OC)	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|O<2>}	116.8330	0.000	1	116.8330	0.000	1	118.2287	3.519	3	119.3860	5.864	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[5]-4:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC)	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	120.3610	0.000	1	120.3610	0.000	1	118.2287	3.519	3	119.3860	5.864	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	3:4:	4:2:4:4:	3:3:2:	C[6a]-3:C-4:	C[6]-4:O-2:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|Br<1>,1|C<3>,1|H<1>}	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	119.3860	5.864	5	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	4:3:	3:3:2:1:	3:3:2:	C-4:C[6a]-3:	N[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	4:3:	4:2:1:1:	3:3:2:	C-4:C[6a]-3:	C[3x4,3x6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(CC[3x4,3x6]HH)(C[6a]C[6a]2)	C(C[3x4,3x6]C[3x4,3x6]3)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	4:3:	5:2:1:1:	3:3:2:	C-4:C[6a]-3:	C[3,4,4]-5:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[3,4,4]HH)(C[6a]C[6a]2)	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	O(CC[3,4,4]HH)(C[6a]C[6a]2)	C(C[3,4,4]O[3x3,4,4,5]H[3,4,4]O[4x3,4]H)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682
893	490	643	0:SP2_SP2_SP3	O	C	C[6a]	4:3:	6:2:1:1:	3:3:2:	C-4:C[6a]-3:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC)	O(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	117.2368	2.447	30682	117.2368	2.447	30682