466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6,6]	4:3:4:4:	4:1:1:1:	3:3:4:4:	Si[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2	C(C[6]Si[6,6]N[6]C)(H)3	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2{2|H<1>,5|C<3>}	C(C[6]Si[6,6]N[6]C)(H)3	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	115.8015	1.901	2	115.8015	3.615	2	115.8015	3.615	2	115.8015	3.615	2	115.8015	3.615	2	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	3:4:4:4:	4:1:1:1:	3:4:3:1:	C[6,6a]-3:Si[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	B[5a,6]-3:C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2	C(C[6]C[6,6a]Si[6]C)(H)3	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]Si[6]C)(H)3	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H){5|C<3>}	108.7745	1.834	2	108.7745	3.362	2	108.7745	3.362	2	108.7745	3.362	2	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:2:4:4:	4:1:1:1:	4:4:4:4:	Si[6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2	C(C[6]Si[6]N[6]C)(H)3	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]Si[6]N[6]C)(H)3	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2{1|C<4>,2|C<3>}	112.8175	0.735	2	112.8175	0.540	2	112.8175	0.540	2	112.8175	0.540	2	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:3:4:4:	4:1:1:1:	4:3:4:1:	Si[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	Si[5]-4:N[6]-3:C[6]-4:Cl-1:	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2	C(C[6]Si[6]N[6]C)(H)3	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl)	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C(C[6]Si[6]N[6]C)(H)3	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl){3|C<4>,4|C<3>}	111.1735	2.972	2	111.1735	8.833	2	111.1735	8.833	2	111.1735	8.833	2	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C(C[6]Si[6]C[6]H)(H)3	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	C(C[6]Si[6]C[6]H)(H)3	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	108.1820	0.167	4	108.1820	0.028	4	108.1820	0.028	4	108.1820	0.028	4	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C(C[6]Si[6]C[6]H)(CCHH)(H)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	C(C[6]Si[6]C[6]H)(CCHH)(H)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2{1|C<4>,2|H<1>,3|C<3>}	112.0235	1.316	2	112.0235	1.732	2	112.0235	1.732	2	112.0235	1.732	2	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:4:4:4:	4:1:1:1:	4:3:4:4:	C[6]-4:Si[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	C(C[6]Si[6]C[6]C)(H)3	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]Si[6]C[6]C)(H)3	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2{1|Si<4>,1|C<4>,2|H<1>}	113.2460	0.047	2	113.2460	0.002	2	113.2460	0.002	2	113.2460	0.002	2	110.8615	6.039	15	111.4427	8.202	17
466	490	658	0:SP3_SP3_SP3	C[6]	C	Si[6]	4:4:4:4:	4:4:4:4:	4:4:4:2:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:Si-4:O-2:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	C(C[6]Si[6]C[6]Si)(CH3)3	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi)	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	C(C[6]Si[6]C[6]Si)(CH3)3	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi){2|C<3>,2|H<1>}	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	114.1250	0.000	1	110.8615	6.039	15	111.4427	8.202	17
466	490	727	0:SP3_SP2_SP3	C[4x6]	C	C[5a,6,6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6,6]-3:C[4x6]-4:	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.3810	0.000	1	108.7777	0.274	3	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	108.4760	0.037	2	108.7777	0.274	3	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.4085	0.711	2	108.6440	1.354	4	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	107.8795	1.104	2	108.6440	1.354	4	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.4070	0.000	1	108.4110	0.000	2	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|O<1>,3|C<3>,3|H<1>}	108.4150	0.000	1	108.4110	0.000	2	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	109.7000	0.000	1	109.7000	0.000	1	108.7431	0.643	10	108.7431	0.643	10	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	109.6730	0.000	1	109.6730	0.000	1	108.5535	2.507	2	108.5535	2.507	2	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	107.4340	0.000	1	107.4340	0.000	1	108.5535	2.507	2	108.5535	2.507	2	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	111.1813	0.378	3	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	C[5a,6,6](C[6,6]C[6,6]C[6]C)(C[5a,6]N[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,3|C<4>,6|H<1>}	111.5325	0.127	2	111.5325	0.016	2	111.5325	0.016	2	111.1813	0.378	3	109.2678	1.646	16	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	105.4767	1.012	4	105.4767	1.024	4	105.4767	1.024	4	105.4767	1.024	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.1535	1.696	4	113.1535	2.878	4	113.1535	2.878	4	112.1187	3.637	7	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	109.3260	0.000	1	109.3260	0.000	1	110.7390	1.597	3	112.1187	3.637	7	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	111.1300	0.000	1	111.4455	0.199	2	110.7390	1.597	3	112.1187	3.637	7	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	111.7610	0.000	1	111.4455	0.199	2	110.7390	1.597	3	112.1187	3.637	7	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	110.0115	0.333	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	110.5480	0.000	1	110.0205	0.557	2	110.1713	0.347	3	110.0115	0.333	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	109.4930	0.000	1	110.0205	0.557	2	110.1713	0.347	3	110.0115	0.333	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]O[5a]O[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<4>,4|C<3>}	110.4730	0.000	1	110.4730	0.000	1	110.1713	0.347	3	110.0115	0.333	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.2600	0.000	1	110.7590	0.365	3	111.1372	0.816	4	111.1372	0.816	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.5860	0.000	1	110.7590	0.365	3	111.1372	0.816	4	111.1372	0.816	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	111.4310	0.000	1	110.7590	0.365	3	111.1372	0.816	4	111.1372	0.816	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	112.2720	0.000	1	112.2720	0.000	1	111.1372	0.816	4	111.1372	0.816	4	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	113.4955	0.091	2	113.4955	0.008	2	113.4955	0.008	2	113.4955	0.008	2	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.5630	0.000	1	111.5630	0.000	1	109.7740	6.401	2	109.7740	6.401	2	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){2|C<4>,3|H<1>,5|C<3>}	107.9850	0.000	1	107.9850	0.000	1	109.7740	6.401	2	109.7740	6.401	2	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[5a,6](C[6,6]C[6,6]C[6]C)(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,3|C<4>,5|H<1>}	106.9665	0.554	2	106.9665	0.307	2	106.9665	0.307	2	106.9665	0.307	2	110.1700	8.125	27	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a]	3:4:4:4:	4:3:1:1:	3:4:3:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H){1|C<4>,4|H<1>,5|C<3>}	110.3750	0.440	2	110.3750	0.193	2	110.3750	0.193	2	110.3750	0.193	2	109.4933	3.077	4	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a]	4:3:4:4:	4:2:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	106.8900	0.000	1	108.6115	5.927	2	108.6115	5.927	2	108.6115	5.927	2	109.4933	3.077	4	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6,6]	C	C[5a]	4:3:4:4:	4:2:1:1:	4:3:3:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.3330	0.000	1	108.6115	5.927	2	108.6115	5.927	2	108.6115	5.927	2	109.4933	3.077	4	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5a,6]O[6]H)(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	C(C[6]C[5a,6]O[6]H)(H)3	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	110.6920	0.000	2	110.6920	0.000	2	111.9347	2.327	6	111.9347	2.327	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.2330	0.000	2	112.5560	2.334	4	111.9347	2.327	6	111.9347	2.327	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	113.8790	0.000	2	112.5560	2.334	4	111.9347	2.327	6	111.9347	2.327	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	112.1635	0.463	2	112.1635	0.215	2	112.1635	0.215	2	112.1635	0.215	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2	C(C[6]C[5a,6]O[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]O[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC){1|H<1>,1|N<3>,3|C<3>}	112.6568	1.375	4	112.6568	1.892	4	112.6568	1.892	4	112.6568	1.892	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.4370	0.000	1	111.2687	0.300	4	111.1054	0.358	5	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.1220	0.901	2	111.2687	0.300	4	111.1054	0.358	5	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.3940	0.000	1	111.2687	0.300	4	111.1054	0.358	5	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	110.4520	0.000	1	110.4520	0.000	1	111.1054	0.358	5	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.7324	0.721	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C(C[6]C[5a,6]C[6,6a]C[6a])(H)3	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	112.5723	1.530	3	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH){1|Cl<1>,1|H<1>,4|C<3>}	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	112.5723	1.530	3	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	112.5723	1.530	3	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.1342	0.776	5	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	112.2240	0.000	1	112.2240	0.000	1	113.1248	1.034	4	113.1342	0.776	5	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|O<2>,2|C<4>,3|C<3>}	114.5150	0.000	1	114.5150	0.000	1	113.1248	1.034	4	113.1342	0.776	5	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	113.2250	0.000	1	112.8800	0.238	2	113.1248	1.034	4	113.1342	0.776	5	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	112.5350	0.000	1	112.8800	0.238	2	113.1248	1.034	4	113.1342	0.776	5	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:3:2:1:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH){1|S<4>,2|H<1>,4|C<3>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	112.0140	0.000	1	112.0140	0.000	1	112.0697	1.013	3	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	113.1030	0.000	1	112.0975	2.022	2	112.0697	1.013	3	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	111.0920	0.000	1	112.0975	2.022	2	112.0697	1.013	3	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.8242	0.646	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	113.2835	0.883	2	113.2835	0.780	2	113.2835	0.780	2	112.3178	1.505	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	111.3520	0.071	2	111.3520	0.005	2	111.3520	0.005	2	112.3178	1.505	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:1:	4:4:4:4:	3:2:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	112.4585	0.554	2	112.4585	0.307	2	112.4585	0.307	2	112.4585	0.307	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	111.3763	1.096	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	111.1957	0.352	3	111.1957	0.124	3	110.9873	0.256	4	111.3763	1.096	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	110.3620	0.000	1	110.3620	0.000	1	110.9873	0.256	4	111.3763	1.096	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	111.3763	1.096	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:3:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,2|H<1>}	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2{2|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC){1|H<1>,4|C<3>}	110.0375	1.882	2	110.0375	3.540	2	110.0375	3.540	2	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	111.3565	0.039	2	111.3565	0.002	2	111.3565	0.002	2	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.1045	1.231	2	111.1045	1.516	2	111.1045	1.516	2	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C(C[6]C[5a,6]N[6]C)(F)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(F)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC){1|H<1>,4|C<3>}	110.1273	0.710	4	110.1273	0.504	4	110.3230	0.558	6	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC){2|C<3>,2|H<1>}	110.7145	0.904	2	110.7145	0.818	2	110.3230	0.558	6	110.5148	0.841	14	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2{1|C<4>,1|O<1>,2|N<2>}	C(C[6]C[5a,6]N[6]C)(H)3	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.0765	0.647	2	109.0765	0.419	2	109.0765	0.419	2	109.0765	0.419	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<2>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8645	0.364	4	109.4149	0.912	20	109.4149	0.912	20	109.4149	0.912	20	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Ag<3>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8312	1.100	4	109.4149	0.912	20	109.4149	0.912	20	109.4149	0.912	20	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.2022	1.092	4	109.4149	0.912	20	109.4149	0.912	20	109.4149	0.912	20	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.6467	1.118	4	109.4149	0.912	20	109.4149	0.912	20	109.4149	0.912	20	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2C)(H)3	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	109.5295	0.790	4	109.4149	0.912	20	109.4149	0.912	20	109.4149	0.912	20	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	111.0740	1.485	2	111.0740	2.205	2	111.0740	2.205	2	111.0740	2.205	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	110.3370	0.991	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C(C[6]C[5a,6]N[6]C)(SC[6a]OO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(SC[6a]OO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.3370	0.991	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:2:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2{1|C<4>,1|O<1>,2|N<2>}	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	109.6935	1.472	8	109.6935	2.166	8	109.6935	2.166	8	109.6935	2.166	8	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	C(C[6]C[5a,6]C[5,6]H)(H)3	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[5,6]H)(H)3	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<4>,4|C<3>}	111.2655	1.325	4	111.1314	1.406	5	111.4793	1.851	6	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<3>,4|C<4>}	110.5950	0.000	1	111.1314	1.406	5	111.4793	1.851	6	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH){2|C<3>,2|C<4>,5|H<1>}	113.2190	0.000	1	113.2190	0.000	1	111.4793	1.851	6	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C(C[6]C[5a,6]C[6]H)(F)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(F)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH){1|S<2>,2|H<1>,3|C<3>}	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	112.5680	0.000	1	112.5680	0.000	1	111.7915	1.206	2	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH){2|C<3>,3|H<1>}	111.0150	0.000	1	111.0150	0.000	1	111.7915	1.206	2	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	112.3370	0.000	1	112.3370	0.000	1	112.3370	0.000	1	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	115.4025	0.510	2	115.4250	0.131	3	115.4250	0.131	3	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	115.4700	0.000	1	115.4250	0.131	3	115.4250	0.131	3	112.5289	4.238	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	109.8723	0.330	3	109.8866	0.058	7	109.8866	0.058	7	109.8866	0.058	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	109.8972	0.209	4	109.8866	0.058	7	109.8866	0.058	7	109.8866	0.058	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[5,6]H)(OC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH){1|C<4>,2|H<1>,4|C<3>}	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.2578	4.339	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.1090	0.000	1	114.1090	0.000	1	111.9095	9.676	2	111.2578	4.339	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.7100	0.000	1	109.7100	0.000	1	111.9095	9.676	2	111.2578	4.339	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.8867	2.315	3	110.8867	5.361	3	110.8867	5.361	3	111.2578	4.339	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H)	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C(C[6]C[5a,6]C[5,6]H)(CCH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,3|H<1>,5|C<3>}	110.7082	1.458	4	110.7082	2.126	4	110.7082	2.126	4	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CHO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CHO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,5|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	109.0790	0.000	1	109.0790	0.000	1	108.5905	0.477	2	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,2|H<1>,4|C<3>}	108.1020	0.000	1	108.1020	0.000	1	108.5905	0.477	2	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	115.0940	0.000	1	115.0940	0.000	1	111.7385	22.519	2	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.3830	0.000	1	108.3830	0.000	1	111.7385	22.519	2	110.8928	5.361	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:2:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:2:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	112.6830	1.678	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	112.6830	1.678	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){3|H<1>,4|C<4>}	109.8230	0.000	1	109.8230	0.000	1	112.7483	8.765	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	115.7430	0.000	1	115.7430	0.000	1	112.7483	8.765	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	112.6790	0.000	1	112.6790	0.000	1	112.7483	8.765	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){2|H<1>,3|C<4>,4|C<3>}	111.0910	0.000	1	111.0910	0.000	1	112.6397	2.916	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.4710	0.000	1	114.4710	0.000	1	112.6397	2.916	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,6|H<1>}	112.3570	0.000	1	112.3570	0.000	1	112.6397	2.916	3	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	111.9760	0.426	2	111.9760	0.181	2	111.9760	0.181	2	112.4744	3.056	9	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:3:2:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	112.2130	0.000	1	113.2103	0.756	3	113.2103	0.756	3	112.9805	0.716	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	113.7090	0.144	2	113.2103	0.756	3	113.2103	0.756	3	112.9805	0.716	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|S<4>,3|C<3>,5|H<1>}	112.2910	0.000	1	112.2910	0.000	1	112.2910	0.000	1	112.9805	0.716	4	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[5a,6]C[6]O)(F)3	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]O)(F)3	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,5|H<1>}	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:2:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C(C[6]C[5a,6]C[6,6]O)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]O)(H)3	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H){2|C<4>,4|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC){1|C<4>,6|H<1>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:2:	4:4:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:3:	4:1:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	110.0480	1.937	2	110.0480	3.754	2	110.0480	3.754	2	110.0480	3.754	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2	C(C[6]C[5a,6]C[5,6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]C[5,6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.7395	1.573	4	112.7395	2.476	4	112.7395	2.476	4	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){2|H<1>,3|C<4>,4|C<3>}	110.5190	1.838	2	110.5190	3.380	2	110.5190	3.380	2	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|H<1>,4|C<3>}	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){1|N<3>,3|C<3>,5|H<1>}	111.3060	0.597	2	111.3060	0.356	2	111.3060	0.356	2	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2{1|N<2>,2|O<2>,5|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	109.3205	1.982	2	109.3205	3.928	2	109.5957	3.784	6	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	109.7332	2.218	4	109.7332	4.921	4	109.5957	3.784	6	110.7437	4.128	15	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]CC)(N[5a]O[5a]){2|C<4>,3|H<1>}	109.0233	1.017	4	109.0233	1.035	4	109.0233	1.035	4	109.0872	0.615	11	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C(C[6]C[5a,6]C[6,6]C)(H)3	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a]){2|C<4>,4|H<1>}	109.2930	0.603	6	109.2930	0.363	6	109.2930	0.363	6	109.0872	0.615	11	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(H)3	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	109.0872	0.615	11	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	104.3800	0.000	1	104.3800	0.000	1	107.2660	16.658	2	107.2660	16.658	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.1520	0.000	1	110.1520	0.000	1	107.2660	16.658	2	107.2660	16.658	2	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:2:1:1:	3:4:2:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:3:1:1:	3:2:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7640	0.065	2	110.7640	0.004	2	110.5732	4.854	5	110.6972	3.975	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.2030	0.000	1	107.2030	0.000	1	110.5732	4.854	5	110.6972	3.975	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.0675	1.875	2	112.0675	3.514	2	110.5732	4.854	5	110.6972	3.975	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:O-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|H<1>,4|C<3>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.6972	3.975	6	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	113.1000	0.000	1	113.1000	0.000	1	109.2521	5.789	7	109.2521	5.789	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5400	0.000	1	108.5617	6.758	3	109.2521	5.789	7	109.2521	5.789	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.0725	0.457	2	108.5617	6.758	3	109.2521	5.789	7	109.2521	5.789	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.9315	0.865	2	107.9315	0.748	2	109.2521	5.789	7	109.2521	5.789	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	110.1170	0.000	1	110.1170	0.000	1	109.2521	5.789	7	109.2521	5.789	7	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H){1|O<2>,2|C<4>,3|H<1>}	111.4343	0.695	3	111.4343	0.483	3	111.4343	0.483	3	111.4343	0.483	3	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	110.1657	1.990	6	110.1657	3.962	6	110.0516	3.649	10	110.0516	3.649	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	109.7825	2.481	2	109.8805	4.279	4	110.0516	3.649	10	110.0516	3.649	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a,6]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[3x6]C)(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<4>,2|H<1>,3|C<3>}	109.9785	2.577	2	109.8805	4.279	4	110.0516	3.649	10	110.0516	3.649	10	110.9113	3.863	223	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH)	C(C[6]C[5a]O[6]2)(Br)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5a]O[6]2)(Br)(H)2	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	112.3587	1.841	3	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3)	C(C[6]C[5a]O[6]2)(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5a]O[6]2)(H)3	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6]O[6]2C){2|C<4>}	111.6205	0.643	2	111.6205	0.413	2	111.6205	0.413	2	112.3587	1.841	3	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	C(C[6]C[5a]C[6]S[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H)	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[5a]C[6]S[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	109.2615	0.589	2	109.2615	0.347	2	109.2615	0.347	2	109.2615	0.347	2	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:3:2:4:	4:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C(C[6]N[5a,6]C[5a]O[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]N[5a,6]C[5a]O[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H){1|H<1>,1|S<4>,5|C<3>}	112.2805	0.114	2	112.2805	0.013	2	112.2805	0.013	2	112.2805	0.013	2	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[5a]N[6])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	112.0280	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C(C[6]C[5a]C[6]N[6])(F)3	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C(C[6]C[5a]C[6]N[6])(F)3	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6a]C[5a]C[6])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C(C[6]C[6,6a]C[5a]C[6])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[5a]C[6]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5a]C[6]2)(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:4:3:4:	4:1:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C(C[6]C[5a]C[6]N[6])(H)3	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C(C[6]C[5a]C[6]N[6])(H)3	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	108.9295	0.162	2	108.9295	0.026	2	108.9295	0.026	2	108.9295	0.026	2	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:4:4:4:	4:1:1:1:	4:2:2:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[5a]C[6]2)(H)3	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[5a]C[6]2)(H)3	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	107.4120	0.042	2	107.4120	0.002	2	107.4120	0.002	2	107.4120	0.002	2	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	4:3:4:4:	4:1:1:1:	4:2:2:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[5a]C[6])(H)3	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[5a]C[6])(H)3	C[5a](C[6]C[6,6]C[6]C)(N[5a]N[5a])(S[5a]C[5a]){1|N<3>,3|C<4>,3|H<1>}	107.1225	0.784	2	107.1225	0.615	2	107.1225	0.615	2	107.1225	0.615	2	109.9581	4.670	19	110.6883	4.447	290
466	490	727	0:SP3_SP2_SP3	C[6]	C	C[5a]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[5a]C[6])(H)3	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[5a]C[6])(H)3	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,2|C<3>,5|C<4>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	109.9581	4.670	19	110.6883	4.447	290
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[3x6])(H)3	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	113.8347	0.114	4	113.8347	0.013	4	113.8347	0.013	4	113.8347	0.013	4	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	111.7080	0.000	1	111.8365	0.033	2	111.8365	0.033	2	111.8365	0.033	2	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<6>,2|Si<4>,1|H<1>,2|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	111.9650	0.000	1	111.8365	0.033	2	111.8365	0.033	2	111.8365	0.033	2	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	4:3:2:4:	4:1:1:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	113.4790	0.000	1	113.4790	0.000	1	114.4254	1.096	5	114.4254	1.096	5	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	4:3:2:4:	4:1:1:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	114.4260	0.000	1	114.6620	1.089	4	114.4254	1.096	5	114.4254	1.096	5	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	4:3:2:4:	4:1:1:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	114.7407	1.263	3	114.6620	1.089	4	114.4254	1.096	5	114.4254	1.096	5	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[3x6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	111.7975	0.612	4	111.7975	0.374	4	111.7975	0.374	4	111.7975	0.374	4	113.2219	1.877	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	2:3:3:4:	4:1:1:1:	4:3:1:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|H<1>,2|C<4>}	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:1:1:1:	3:4:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	111.2695	0.225	4	111.2695	0.050	4	111.2150	0.053	5	111.2150	0.053	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:1:1:1:	3:4:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	110.9970	0.000	1	110.9970	0.000	1	111.2150	0.053	5	111.2150	0.053	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:2:1:1:	3:4:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O){1|S<2>,2|C<4>,3|C<3>}	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:2:1:1:	4:3:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,1|O<1>,2|C<4>}	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:2:1:1:	4:4:1:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:3:2:1:	3:4:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[6a]-3:O-2:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:3:2:1:	4:3:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:2:4:	4:4:4:1:	4:3:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH)	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH){1|C<4>,1|H<1>,1|O<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|S<2>,2|C<4>}	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)(H){1|O<2>,2|H<1>,5|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	112.6690	0.175	2	112.6690	0.031	2	112.6690	0.031	2	112.6690	0.031	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	114.6478	0.423	4	114.6478	0.179	4	114.6478	0.179	4	114.6478	0.179	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:3:3:4:	4:2:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	115.0190	0.000	1	115.0190	0.000	1	115.0190	0.000	1	115.0190	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:2:4:	4:2:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:2:4:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,2|C<4>,3|C<3>}	109.9890	0.000	1	109.9890	0.000	1	111.3435	0.542	11	111.3435	0.542	11	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	111.3012	0.699	4	111.1970	0.421	5	111.3435	0.542	11	111.3435	0.542	11	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|H<1>,3|C<3>}	110.7800	0.000	1	111.1970	0.421	5	111.3435	0.542	11	111.3435	0.542	11	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(O[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	111.7610	0.481	5	111.7610	0.231	5	111.3435	0.542	11	111.3435	0.542	11	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	114.1412	3.004	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<5>,1|O<2>,2|C<4>,2|H<1>}	114.9217	0.923	3	114.9217	0.852	3	114.9217	0.852	3	114.1412	3.004	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	106.7550	0.431	2	106.3194	0.290	5	106.3194	0.290	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	106.0180	0.000	1	106.3194	0.290	5	106.3194	0.290	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	106.0345	0.583	2	106.3194	0.290	5	106.3194	0.290	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	106.7085	1.080	2	106.7085	1.166	2	106.5364	0.589	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	105.7290	0.000	1	106.4217	0.546	3	106.5364	0.589	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	106.7680	0.610	2	106.4217	0.546	3	106.5364	0.589	5	106.4279	0.404	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[5a]-3:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){2|C<3>,3|H<1>,4|C<4>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){1|C<3>,6|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	112.7020	0.748	2	112.3557	0.640	3	112.3557	0.640	3	113.3615	1.508	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){2|C<3>,5|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,2|H<1>,3|O<1>,4|C<4>}	111.6630	0.000	1	112.3557	0.640	3	112.3557	0.640	3	113.3615	1.508	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){1|C<3>,6|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	114.1895	0.042	2	114.3673	0.096	3	114.3673	0.096	3	113.3615	1.508	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){2|C<3>,5|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)(O){1|C<3>,2|O<1>,3|C<4>,6|H<1>}	114.7230	0.000	1	114.3673	0.096	3	114.3673	0.096	3	113.3615	1.508	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:4:4:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	C(C[3x6]C[6,6]3)(CH3)2(H)	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]3)(CH3)2(H)	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	113.3290	6.545	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	3:4:3:4:	4:4:4:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	C(C[3x6]C[6,6]3)(CH3)2(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]3)(CH3)2(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	113.3290	6.545	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:2:3:4:	4:4:4:4:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	C(C[3x6]C[6,6]2O[6,6])(CH3)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C(C[3x6]C[6,6]2O[6,6])(CH3)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	113.5540	0.198	2	113.5540	0.039	2	113.5540	0.039	2	113.5540	0.039	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.6315	0.462	2	118.4085	0.888	4	118.3520	0.551	6	118.3520	0.551	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.1855	0.193	2	118.4085	0.888	4	118.3520	0.551	6	118.3520	0.551	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.4020	0.000	1	118.2390	0.053	2	118.3520	0.551	6	118.3520	0.551	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.0760	0.000	1	118.2390	0.053	2	118.3520	0.551	6	118.3520	0.551	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:2:4:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,2|H<1>}	116.7580	0.405	3	116.7580	0.164	3	116.7580	0.164	3	116.7580	0.164	3	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<1>,2|H<1>,3|C<4>}	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){1|C<3>,2|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	111.1800	0.000	1	111.0905	0.016	2	111.0905	0.016	2	111.0905	0.016	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){3|H<1>,6|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	111.0010	0.000	1	111.0905	0.016	2	111.0905	0.016	2	111.0905	0.016	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:2:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2){1|C<3>,2|C<4>,3|H<1>}	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.6600	0.000	1	111.6600	0.000	1	111.6865	0.001	2	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.7130	0.000	1	111.7130	0.000	1	111.6865	0.001	2	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	109.4168	0.522	4	109.3926	0.207	5	109.3926	0.207	5	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	109.2960	0.000	1	109.3926	0.207	5	109.3926	0.207	5	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.1710	0.000	1	113.1710	0.000	1	113.3367	1.527	3	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	114.6470	0.000	1	114.6470	0.000	1	113.3367	1.527	3	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.1920	0.000	1	112.1920	0.000	1	113.3367	1.527	3	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,2|H<1>,3|C<4>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.8435	3.396	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:2:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3)	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]O)2(CH3){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	105.5590	0.205	2	105.5590	0.042	2	105.5590	0.042	2	105.5590	0.042	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){2|C<3>,2|C<4>,4|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	112.0020	0.000	1	112.0020	0.000	1	112.2833	0.164	3	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){1|C<3>,2|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	112.7480	0.000	1	112.4240	0.210	2	112.2833	0.164	3	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){3|H<1>,6|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	112.1000	0.000	1	112.4240	0.210	2	112.2833	0.164	3	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){3|C<3>,3|C<4>,4|H<1>}	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	111.0550	0.000	1	111.0550	0.000	1	110.9430	0.025	2	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	110.8310	0.000	1	110.8310	0.000	1	110.9430	0.025	2	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,3|H<1>}	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,2|H<1>}	111.6830	0.402	2	111.6830	0.161	2	111.6830	0.161	2	111.3845	0.795	10	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.3295	0.808	2	115.3295	0.653	2	115.3295	0.653	2	115.3295	0.653	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:2:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|O<2>}	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	113.0012	3.067	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|O<1>,2|H<1>,3|C<4>}	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	113.0012	3.067	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.1155	2.261	2	112.3102	2.630	4	112.3102	2.630	4	113.0012	3.067	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	112.5050	1.621	2	112.3102	2.630	4	112.3102	2.630	4	113.0012	3.067	6	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){1|C<4>,2|C<3>,5|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	110.9840	0.000	1	111.0425	0.007	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	111.1010	0.000	1	111.0425	0.007	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,2|O<1>,5|C<4>}	112.3170	0.000	1	112.6420	0.211	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){2|O<1>,3|C<4>,3|H<1>}	112.9670	0.000	1	112.6420	0.211	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	113.1385	0.441	2	113.1385	0.194	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	112.5410	0.700	2	112.6192	1.342	6	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	112.1570	1.262	3	112.6192	1.342	6	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){2|O<1>,3|C<4>,3|H<1>}	114.1620	0.000	1	112.6192	1.342	6	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	112.7240	0.000	1	111.4365	3.315	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	110.1490	0.000	1	111.4365	3.315	2	112.3024	1.334	14	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[4x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,4|C<4>,5|H<1>}	111.4935	0.590	2	111.4935	0.349	2	111.4935	0.349	2	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	112.2603	1.075	20	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.0850	0.000	1	113.0850	0.000	1	114.5055	4.036	2	113.1630	1.964	7	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H)	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	115.9260	0.000	1	115.9260	0.000	1	114.5055	4.036	2	113.1630	1.964	7	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.1630	1.964	7	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CCCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CCCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	112.1315	0.500	2	112.1315	0.250	2	112.3518	0.399	4	113.1630	1.964	7	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	C(C[3x6]C[6,6]3)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	112.5720	0.868	2	112.5720	0.754	2	112.3518	0.399	4	113.1630	1.964	7	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){1|C<4>,2|C<3>,5|H<1>}	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0755	0.003	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O)	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[3x6]C[5]O[5])(C[3x6]C[3x6]C[6,6]C)(O){2|C<4>,4|C<3>,4|H<1>}	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.0755	0.003	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:3:4:	4:4:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:C-4:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C(C[3x6]C[6,6]3)(CH3)3	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	C(C[3x6]C[6,6]3)(CH3)3	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	113.9465	0.069	2	113.9465	0.005	2	113.9465	0.005	2	113.9465	0.005	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:4:4:	4:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	C[6,6](C[3x6]C[5,4x6]C[6]C)(C[3x6]C[6,6]2C)(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.9225	0.196	2	114.1327	0.152	3	114.1327	0.152	3	113.9910	0.181	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2C)(H){1|O<2>,3|C<4>,3|H<1>}	114.5530	0.000	1	114.1327	0.152	3	114.1327	0.152	3	113.9910	0.181	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:Se-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	113.9910	0.181	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:B-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3){2|C<3>,3|H<1>,4|C<4>}	119.0295	0.129	2	119.0295	0.017	2	116.1601	6.865	8	116.1601	6.865	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:B-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3){2|C<3>,3|H<1>,4|C<4>}	118.1475	0.008	2	118.1475	0.000	2	116.1601	6.865	8	116.1601	6.865	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:B-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3){2|C<3>,3|H<1>,4|C<4>}	113.7990	0.121	3	113.7990	0.015	3	116.1601	6.865	8	116.1601	6.865	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:B-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3){2|C<3>,3|H<1>,4|C<4>}	113.5300	0.000	1	113.5300	0.000	1	116.1601	6.865	8	116.1601	6.865	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:Br-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[5,3x6])(O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(O[6,6]C[5,3x6])(O){1|C<3>,2|H<1>,4|C<4>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|O<2>,4|C<4>,4|H<1>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	113.6905	0.599	2	113.6905	0.359	2	113.6905	0.359	2	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	113.7080	0.257	2	113.7080	0.066	2	113.5725	0.902	8	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.1830	0.564	4	114.1830	0.318	4	113.5725	0.902	8	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	112.2160	0.296	2	112.2160	0.087	2	113.5725	0.902	8	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(H){3|H<1>,4|C<4>}	113.8090	0.000	1	113.8090	0.000	1	113.5617	0.476	3	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,4|H<1>}	114.0940	0.000	1	114.0940	0.000	1	113.5617	0.476	3	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	112.7820	0.000	1	112.7820	0.000	1	113.5617	0.476	3	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[3x6]-3:O-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3){2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O){2|C<4>,8|H<1>}	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<2>,3|C<4>,3|H<1>}	111.8230	0.000	1	112.1210	0.178	2	112.1210	0.178	2	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	112.4190	0.000	1	112.1210	0.178	2	112.1210	0.178	2	113.2406	1.140	16	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	112.0757	17.687	3	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.6485	0.166	2	109.6485	0.028	2	109.6485	0.028	2	112.0757	17.687	3	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|H<1>,2|O<1>,5|C<4>}	110.8770	0.901	2	110.8770	0.812	2	110.6960	0.445	4	111.8187	2.080	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|O<1>,3|H<1>,4|C<4>}	110.5150	0.626	2	110.5150	0.392	2	110.6960	0.445	4	111.8187	2.080	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.8187	2.080	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<2>,4|C<4>,5|H<1>}	113.4283	0.384	3	113.4283	0.148	3	113.4283	0.148	3	111.8187	2.080	8	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	108.3620	0.000	1	108.0443	0.507	3	108.0443	0.507	3	109.5996	7.323	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	107.8855	0.928	2	108.0443	0.507	3	108.0443	0.507	3	109.5996	7.323	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	109.5996	7.323	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3){6|C<4>}	C(C[3x6]C[6,6]3)(H)3	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(CHH){2|C<4>,8|H<1>}	114.1840	0.000	1	114.1840	0.000	1	114.1840	0.000	1	109.5996	7.323	5	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){2|H<1>,2|O<2>,3|C<4>}	113.2630	0.217	4	113.2630	0.047	4	113.2630	0.047	4	113.2630	0.047	4	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){2|C<4>,2|O<2>,3|H<1>}	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	112.2350	0.000	1	112.2350	0.000	1	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH){1|H<1>,2|C<2>,4|C<4>}	110.3520	0.000	1	110.3520	0.000	1	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	116.4155	0.136	2	116.4155	0.019	2	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	115.6290	2.832	3	114.3897	4.159	7	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	113.2107	0.226	3	114.3897	4.159	7	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	114.2090	0.000	1	114.3897	4.159	7	114.1951	5.371	11	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	C(C[3x6]C[6,6]3)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[3x6]C[6,6]3)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	114.1683	4.891	12	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	112.8115	0.993	2	112.8115	0.987	2	112.8115	0.987	2	112.8115	0.987	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6,6]	6:3:3:4:	4:1:1:1:	4:3:1:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3)	C(C[3x6]C[5x3,5x5,22x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(CH3){1|C<4>,5|B<6>,6|H<1>}	C(C[3x6]C[5x3,5x5,22x6]C[6,6]2)(H)3	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	114.1000	0.341	2	114.1000	0.116	2	114.1000	0.116	2	114.1000	0.116	2	112.5607	7.879	212	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	108.3940	0.000	1	108.3940	0.000	1	108.3070	0.015	2	106.2360	3.021	6	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	108.2200	0.000	1	108.2200	0.000	1	108.3070	0.015	2	106.2360	3.021	6	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O){2|C<3>,2|H<1>,3|C<4>}	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	106.2360	3.021	6	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	105.9980	0.000	1	105.9980	0.000	1	104.9863	0.837	3	106.2360	3.021	6	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O)	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	104.4805	0.373	2	104.4805	0.139	2	104.9863	0.837	3	106.2360	3.021	6	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[3x6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:2:1:	C[3x6]-4:C[4x6]-4:C[6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:N[6]-2:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH)	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C[6](C[3x6]C[3x6]C[4x6]C)(N[6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C[6](C[3x6]C[3x6]C[4x6]C)(N[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	106.9181	5.775	7	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[4x6]	C	C[3x6]	3:3:3:4:	4:4:4:1:	4:3:3:	C[3x6]-3:P[3x6]-3:C[6,6]-3:C-4:	C[4x6]-4:C-4:C-4:H-1:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH)	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	117.0695	0.063	2	117.0695	0.004	2	117.0695	0.004	2	117.0695	0.004	2	115.4695	3.702	4	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[4x6]	C	C[3x6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O){1|C<4>,3|C<3>,4|H<1>}	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	115.4695	3.702	4	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[4x6]	C	C[3x6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O)	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O){1|C<4>,3|C<3>,4|H<1>}	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	115.4695	3.702	4	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[4x6]	C	C[6,6]	3:3:3:4:	4:4:4:1:	4:3:1:	C[3x6]-3:P[3x6]-3:C[6,6]-3:C-4:	C[4x6]-4:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH)	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H)	C[4x6](C[3x6]C[6,6]N[5,6])(P[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]P[3x6]C)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.4500	0.157	2	111.4500	0.025	2	111.4500	0.025	2	111.4500	0.025	2	111.4500	0.025	2	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	107.9150	0.000	1	107.9150	0.000	1	107.3503	0.435	8	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	106.6033	0.336	3	107.2696	0.447	7	107.3503	0.435	8	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	107.8540	0.000	1	107.2696	0.447	7	107.3503	0.435	8	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	108.0170	0.000	1	107.2696	0.447	7	107.3503	0.435	8	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	107.6030	0.052	2	107.2696	0.447	7	107.3503	0.435	8	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[4,4,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2){1|C<2>,1|C<3>,2|H<2>,5|C<4>,5|H<1>}	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	107.7747	2.002	9	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	4:3:4:2:	4:1:1:1:	4:4:3:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,3x6]C[3x6]O)(H)3	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[3x6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	111.3495	3.208	2	111.3495	10.292	2	111.3495	10.292	2	111.3495	10.292	2	109.3735	7.225	15	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:2:2:4:	4:1:1:1:	4:3:3:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	C(C[6,6]C[6,6]O[6]2)(F)3	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]O[6]2)(F)3	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	111.2082	0.727	4	111.2082	0.529	4	111.2082	0.529	4	111.2082	0.529	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.0853	1.047	9	111.0853	1.096	9	111.0853	1.096	9	111.0853	1.096	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	112.1750	0.000	1	112.1750	0.000	1	111.6055	0.649	2	111.6055	0.649	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.6055	0.649	2	111.6055	0.649	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]S[6])(H)3	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]S[6])(H)3	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:2:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	111.7310	0.457	2	111.7310	0.209	2	111.7310	0.209	2	111.7310	0.209	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.4180	0.767	4	107.4180	0.588	4	107.4180	0.588	4	107.4180	0.588	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:B[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.6990	0.223	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.6990	0.223	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|C<3>,2|C<4>,3|H<1>}	114.6210	0.000	1	114.0683	0.263	4	114.0683	0.263	4	114.0683	0.263	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	113.8840	0.436	3	114.0683	0.263	4	114.0683	0.263	4	114.0683	0.263	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2Cl)(O)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2Cl)(O){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.4838	0.938	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	111.6573	0.583	4	111.6573	0.339	4	111.6573	0.339	4	111.4838	0.938	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.5090	0.086	2	111.5090	0.007	2	111.3847	2.080	4	111.4838	0.938	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	113.0170	0.000	1	113.0170	0.000	1	111.3847	2.080	4	111.4838	0.938	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,2|C<3>,6|H<1>}	109.5040	0.000	1	109.5040	0.000	1	111.3847	2.080	4	111.4838	0.938	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2O)(CHH){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	114.0830	0.213	5	114.0830	0.045	5	114.0830	0.045	5	111.0978	12.897	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.5800	0.000	1	108.5800	0.000	1	107.3663	0.913	4	111.0978	12.897	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	107.1970	0.000	1	106.9617	0.387	3	107.3663	0.913	4	111.0978	12.897	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	106.8440	0.832	2	106.9617	0.387	3	107.3663	0.913	4	111.0978	12.897	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.2420	0.000	1	112.2420	0.000	1	111.4435	0.636	4	111.4435	0.636	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	111.1773	0.727	3	111.1773	0.529	3	111.4435	0.636	4	111.4435	0.636	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:2:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:2:4:	4:1:1:1:	4:4:2:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	111.0109	0.768	7	111.0109	0.590	7	111.0109	0.590	7	111.0109	0.590	7	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:2:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|O<2>,4|C<4>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.4635	0.042	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:2:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	115.4635	0.042	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	109.5530	0.000	1	109.5530	0.000	1	109.9850	0.282	3	109.9850	0.282	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	110.5780	0.000	1	110.2010	0.284	2	109.9850	0.282	3	109.9850	0.282	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	109.8240	0.000	1	110.2010	0.284	2	109.9850	0.282	3	109.9850	0.282	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6])	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]){1|Si<4>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	109.3024	2.174	5	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.4690	1.647	4	109.4690	2.713	4	109.4690	2.713	4	109.3024	2.174	5	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|C<4>,6|H<1>}	111.5950	0.000	1	111.5950	0.000	1	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,7|H<1>}	110.8190	0.000	1	110.8190	0.000	1	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,2|O<1>,4|H<1>}	112.3815	0.141	2	112.3272	0.056	5	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	112.2050	0.000	1	112.3272	0.056	5	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,3|C<4>,5|H<1>}	112.3340	0.427	2	112.3272	0.056	5	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.6540	0.000	1	111.6540	0.000	1	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	113.4210	0.000	1	113.4210	0.000	1	112.1250	0.539	9	112.1250	0.539	9	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	108.2530	0.000	1	107.6450	1.301	3	107.6450	1.301	3	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	107.3410	1.431	2	107.6450	1.301	3	107.6450	1.301	3	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.4775	0.514	2	110.4775	0.264	2	108.4110	2.656	6	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	107.5870	0.054	2	107.5870	0.003	2	108.4110	2.656	6	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	107.1685	0.159	2	107.1685	0.025	2	108.4110	2.656	6	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	110.4822	1.460	4	109.8697	1.446	9	109.8697	1.446	9	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.3796	0.785	5	109.8697	1.446	9	109.8697	1.446	9	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	114.0883	0.278	3	114.0883	0.077	3	113.8780	0.132	5	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(CHH)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	113.5625	0.209	2	113.5625	0.044	2	113.8780	0.132	5	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.5810	0.363	4	109.5810	0.132	4	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.3860	0.000	1	110.8542	0.453	4	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	110.7180	0.000	1	110.8542	0.453	4	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.6565	0.989	2	110.8542	0.453	4	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	108.6385	1.337	2	108.6385	1.788	2	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	111.1930	0.000	1	111.1930	0.000	1	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	109.7710	0.000	1	109.7710	0.000	1	109.9985	1.122	12	110.0457	4.335	35	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|Cl<1>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	110.8423	0.044	3	110.8423	0.002	3	110.8423	0.002	3	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.3950	0.679	4	110.2254	0.490	5	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	109.5470	0.000	1	110.2254	0.490	5	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.7590	0.000	1	109.7590	0.000	1	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.2615	0.937	2	112.2615	0.878	2	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.2148	1.296	5	111.6359	1.301	8	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	112.2320	0.000	1	111.6359	1.301	8	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	112.3905	0.110	2	111.6359	1.301	8	111.1560	1.501	16	111.1065	1.265	19	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	106.8930	0.000	1	106.8930	0.000	1	108.8227	25.417	3	108.8227	25.417	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	114.5440	0.000	1	114.5440	0.000	1	108.8227	25.417	3	108.8227	25.417	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	105.0310	0.000	1	105.0310	0.000	1	108.8227	25.417	3	108.8227	25.417	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	111.9460	0.000	1	111.4195	0.554	2	111.4195	0.554	2	111.4195	0.554	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	110.8930	0.000	1	111.4195	0.554	2	111.4195	0.554	2	111.4195	0.554	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:2:	4:1:1:1:	4:4:1:	C[6,6]-3:C[3x6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.9430	0.246	2	109.9430	0.061	2	109.9430	0.061	2	109.9430	0.061	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	110.6055	0.101	2	110.2819	0.513	8	110.2592	0.439	10	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.8390	0.894	2	110.2819	0.513	8	110.2592	0.439	10	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	109.8415	0.625	4	110.2819	0.513	8	110.2592	0.439	10	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	109.7530	0.000	1	109.7530	0.000	1	110.2592	0.439	10	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	110.5840	0.000	1	110.5840	0.000	1	110.2592	0.439	10	110.2347	0.402	11	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	105.5150	0.113	2	105.5150	0.013	2	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	106.2570	0.000	1	107.5227	1.260	3	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	108.3970	0.000	1	107.5227	1.260	3	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	107.9140	0.000	1	107.5227	1.260	3	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	105.5140	0.000	1	105.5140	0.000	1	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	105.4140	0.000	1	106.4596	0.811	5	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	107.5330	0.000	1	106.4596	0.811	5	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	106.6820	0.822	2	106.4596	0.811	5	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	105.9870	0.000	1	106.4596	0.811	5	106.4918	1.183	11	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	107.9490	0.000	1	107.9490	0.000	1	108.7773	0.648	3	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	108.8260	0.000	1	108.8260	0.000	1	108.7773	0.648	3	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	109.5570	0.000	1	109.5570	0.000	1	108.7773	0.648	3	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3){2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2{4|H<1>,6|C<4>}	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	106.9886	1.818	15	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	107.1663	1.646	7	107.1405	1.888	10	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	107.0803	0.603	3	107.1405	1.888	10	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	103.9580	0.000	1	104.8855	1.721	2	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	105.8130	0.000	1	104.8855	1.721	2	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	106.3757	0.685	4	106.3671	0.569	9	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	105.0320	0.000	1	106.3671	0.569	9	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	106.0060	0.000	1	106.3671	0.569	9	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	106.9785	0.538	2	106.3671	0.569	9	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	106.8060	0.000	1	106.3671	0.569	9	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	106.5310	0.000	1	106.5310	0.000	1	106.5914	1.550	22	106.5914	1.550	22	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	110.8215	1.637	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.1920	0.000	1	109.1920	0.000	1	110.3353	1.038	3	110.8215	1.637	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|C<4>,7|H<1>}	110.6680	0.000	1	110.9070	0.114	2	110.3353	1.038	3	110.8215	1.637	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,2|C<4>,6|H<1>}	111.1460	0.000	1	110.9070	0.114	2	110.3353	1.038	3	110.8215	1.637	4	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	102.5070	0.000	1	103.0273	0.329	3	103.0273	0.329	3	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	103.2875	0.501	2	103.0273	0.329	3	103.0273	0.329	3	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	106.3113	0.667	3	106.3113	0.445	3	106.3113	0.445	3	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){11|H<1>,1|C<3>,4|C<4>}	108.7910	0.000	1	108.6292	0.013	4	108.5897	0.009	7	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,9|H<1>}	108.5200	0.000	1	108.6292	0.013	4	108.5897	0.009	7	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<4>,2|O<2>,3|C<3>,8|H<1>}	108.6080	0.000	1	108.6292	0.013	4	108.5897	0.009	7	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	108.5980	0.000	1	108.6292	0.013	4	108.5897	0.009	7	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,8|H<1>}	108.5370	0.023	3	108.5370	0.001	3	108.5897	0.009	7	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	108.7650	0.000	1	108.7650	0.000	1	109.0005	0.111	2	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.2360	0.000	1	109.2360	0.000	1	109.0005	0.111	2	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	111.1880	0.000	1	111.1880	0.000	1	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	106.5300	0.000	1	106.5300	0.000	1	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	104.6200	0.000	1	106.2607	2.276	3	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	107.0810	0.717	2	106.2607	2.276	3	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	108.0440	0.000	1	106.8515	2.844	2	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	105.6590	0.000	1	106.8515	2.844	2	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	108.6600	0.000	2	108.6600	0.000	2	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	109.2110	0.245	2	109.2110	0.060	2	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.1020	0.000	1	109.1020	0.000	1	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	108.0700	0.000	1	108.0700	0.000	1	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	107.9480	0.000	1	107.9480	0.000	1	107.9332	2.804	14	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	109.1460	0.000	1	109.1838	0.286	6	109.1838	0.286	6	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.1914	0.598	5	109.1838	0.286	6	109.1838	0.286	6	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	109.3590	0.000	1	109.3590	0.000	1	110.2565	1.611	2	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>,4|O<2>}	111.1540	0.000	1	111.1540	0.000	1	110.2565	1.611	2	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.0020	0.038	2	109.2133	0.376	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	108.3270	0.000	1	109.2133	0.376	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.8590	0.000	1	109.2133	0.376	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	109.5450	0.604	2	109.2133	0.376	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.7880	0.000	1	107.7880	0.000	1	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.7650	0.000	1	110.0868	0.827	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.7970	0.000	1	110.0868	0.827	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.6365	0.776	2	110.0868	0.827	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	109.3430	1.103	2	110.0868	0.827	6	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	111.9380	0.242	2	111.9380	0.058	2	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	109.2835	1.684	2	109.2835	2.835	2	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	109.6980	0.000	1	109.6980	0.000	1	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	109.6350	0.000	1	109.6350	0.000	1	109.7561	1.400	19	108.5467	3.876	60	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.3525	0.149	2	111.3525	0.022	2	111.3525	0.022	2	111.3525	0.022	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:2:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]2O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]2O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.8000	0.762	2	112.8000	0.581	2	112.8000	0.581	2	112.8000	0.581	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	109.6540	0.000	1	109.6690	0.000	2	109.6690	0.000	2	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	109.6840	0.000	1	109.6690	0.000	2	109.6690	0.000	2	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.2500	0.000	1	107.2500	0.000	1	107.8432	0.746	5	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.1520	0.000	1	108.1520	0.000	1	107.8432	0.746	5	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	107.9780	0.000	1	107.9780	0.000	1	107.8432	0.746	5	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.0380	0.000	1	109.0380	0.000	1	107.8432	0.746	5	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.7980	0.000	1	106.7980	0.000	1	107.8432	0.746	5	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.4742	1.203	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.9900	0.124	2	108.9900	0.015	2	108.9900	0.015	2	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	108.9550	0.000	1	108.9550	0.000	1	109.4580	0.506	2	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.4580	0.506	2	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	106.4310	0.103	2	106.4310	0.011	2	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	106.1115	0.385	2	106.6087	0.478	6	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	106.8572	0.707	4	106.6087	0.478	6	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	109.0875	0.103	2	107.9097	0.704	10	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	107.6153	0.639	8	107.9097	0.704	10	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	110.5345	1.767	2	110.7840	1.748	3	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	111.2830	0.000	1	110.7840	1.748	3	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.6830	0.742	2	109.1744	0.889	25	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	108.6754	0.936	9	109.1744	0.889	25	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.5654	0.828	14	109.1744	0.889	25	108.5505	2.088	46	108.6044	1.967	50	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:2:3:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	111.2400	0.000	1	111.1020	0.038	2	111.1020	0.038	2	110.9570	0.082	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	110.9640	0.000	1	111.1020	0.038	2	111.1020	0.038	2	110.9570	0.082	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	110.9570	0.082	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:2:1:1:	4:4:2:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	114.3517	4.289	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	114.3517	4.289	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:3:1:1:	4:4:1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:O-1:	C[3x6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H){1|C<2>,2|C<3>,3|H<1>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	114.3517	4.289	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:3:2:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:3:3:3:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	115.6130	1.055	2	115.6130	1.113	2	115.6130	1.113	2	115.6130	1.113	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:1:	4:4:3:2:	4:4:3:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C-4:C-3:O-2:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	115.1250	0.201	2	115.1250	0.040	2	115.1250	0.040	2	115.1250	0.040	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:Cl-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	106.9280	0.000	1	106.5010	0.365	2	106.5010	0.365	2	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:Cl-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	106.0740	0.000	1	106.5010	0.365	2	106.5010	0.365	2	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	109.1070	0.000	1	109.1070	0.000	1	110.5673	2.217	4	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	109.4610	0.000	1	109.4610	0.000	1	110.5673	2.217	4	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	111.8150	0.000	1	111.8150	0.000	1	110.5673	2.217	4	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.8860	0.000	1	111.8860	0.000	1	110.5673	2.217	4	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(O){3|C<3>,3|C<4>,3|H<1>}	108.9955	0.756	2	108.9955	0.571	2	108.9955	0.571	2	109.1577	4.243	8	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:2:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]CO)(OH){3|C<3>,3|C<4>,3|H<1>}	109.4000	1.457	2	109.4000	2.122	2	109.4000	2.122	2	110.3363	3.691	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:1:1:1:	4:4:2:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	110.3363	3.691	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:3:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(CCH)(H)2	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(CCH)(H)2	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	110.6070	2.264	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:3:1:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	110.6070	2.264	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	111.8230	0.000	1	111.8230	0.000	1	110.9410	1.556	2	110.9410	1.556	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	110.0590	0.000	1	110.0590	0.000	1	110.9410	1.556	2	110.9410	1.556	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:3:	4:3:1:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O){1|Si<4>,4|H<1>,5|C<4>}	107.5910	0.000	2	107.5910	0.000	2	107.5910	0.000	2	107.5910	0.000	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	103.1330	0.000	1	103.1330	0.000	1	103.1330	0.000	1	103.1330	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H)	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H){1|O<2>,4|H<1>,8|C<4>}	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	108.3763	2.599	7	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	107.8023	0.203	3	107.8023	0.041	3	107.8023	0.041	3	108.3763	2.599	7	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	109.7850	1.072	3	109.7850	1.149	3	109.7850	1.149	3	108.3763	2.599	7	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	105.6660	0.000	1	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	105.8080	0.000	1	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	106.0880	0.000	1	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	104.6250	0.000	1	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	106.1000	0.815	2	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	106.3535	0.514	2	105.8868	0.449	8	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	107.9480	0.000	1	107.9480	0.000	1	106.1158	0.865	9	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	105.3530	0.000	1	105.3530	0.000	1	108.2116	4.093	5	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	109.5807	0.714	3	108.9262	2.053	4	108.2116	4.093	5	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	106.9630	0.000	1	108.9262	2.053	4	108.2116	4.093	5	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	106.0225	0.506	2	107.0995	1.633	4	106.8685	1.122	6	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	108.1765	0.069	2	107.0995	1.633	4	106.8685	1.122	6	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	106.5940	0.000	1	106.4065	0.070	2	106.8685	1.122	6	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	106.2190	0.000	1	106.4065	0.070	2	106.8685	1.122	6	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	107.9440	0.000	1	107.9440	0.000	1	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	109.5440	0.474	2	108.8277	1.652	3	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	107.3950	0.000	1	108.8277	1.652	3	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	106.7195	0.254	2	106.8731	0.275	7	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	107.2240	0.314	3	106.8731	0.275	7	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	105.9100	0.000	1	106.8731	0.275	7	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	107.0910	0.000	1	106.8731	0.275	7	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	109.9260	0.000	1	109.9260	0.000	1	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	108.1083	1.066	3	108.1083	1.136	3	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	106.9960	0.000	1	106.9960	0.000	1	107.7366	1.455	16	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	108.5530	0.000	1	108.5530	0.000	1	108.5069	0.237	8	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.1070	0.000	1	108.1070	0.000	1	108.5069	0.237	8	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.7505	0.473	2	108.5096	0.344	5	108.5069	0.237	8	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.3490	0.693	3	108.5096	0.344	5	108.5069	0.237	8	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	108.8470	0.000	1	108.8470	0.000	1	108.5069	0.237	8	107.4782	1.899	45	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	106.3020	0.000	1	106.3020	0.000	1	105.5880	3.261	4	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	107.4810	0.000	1	106.4180	2.260	2	105.5880	3.261	4	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	105.3550	0.000	1	106.4180	2.260	2	105.5880	3.261	4	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	103.2140	0.000	1	103.2140	0.000	1	105.5880	3.261	4	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	112.1330	0.000	1	112.1330	0.000	1	111.6690	0.431	2	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	111.2050	0.000	1	111.2050	0.000	1	111.6690	0.431	2	107.6150	11.904	6	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O){1|O<2>,4|C<4>,5|H<1>}	109.4110	0.000	1	109.4110	0.000	1	109.1060	0.186	2	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O){1|O<2>,4|C<4>,5|H<1>}	108.8010	0.000	1	108.8010	0.000	1	109.1060	0.186	2	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]O)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]O)(O){2|O<2>,4|C<4>,4|H<1>}	108.7445	1.221	2	108.7445	1.491	2	108.5625	0.897	8	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	107.2290	0.000	1	108.5018	0.940	6	108.5625	0.897	8	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.1830	0.000	1	108.5018	0.940	6	108.5625	0.897	8	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.4557	0.294	3	108.5018	0.940	6	108.5625	0.897	8	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	108.2320	0.000	1	108.5018	0.940	6	108.5625	0.897	8	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	110.7673	0.500	3	110.7673	0.250	3	111.0670	0.206	7	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	111.2918	0.295	4	111.2918	0.087	4	111.0670	0.206	7	109.6577	1.988	17	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	111.5678	0.356	4	111.5678	0.127	4	111.5678	0.127	4	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	109.7520	0.000	1	109.7520	0.000	1	109.5500	0.082	2	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	109.3480	0.000	1	109.3480	0.000	1	109.5500	0.082	2	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.2650	0.000	1	109.2650	0.000	1	109.5564	0.170	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	109.4440	0.000	1	109.4440	0.000	1	109.5564	0.170	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	110.2020	0.000	1	110.2020	0.000	1	109.5564	0.170	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	109.4355	0.367	2	109.4355	0.135	2	109.5564	0.170	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	110.1260	0.635	2	110.1260	0.403	2	109.2810	2.344	3	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	107.5910	0.000	1	107.5910	0.000	1	109.2810	2.344	3	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,4|C<4>,4|H<1>}	106.1730	0.000	1	106.1730	0.000	1	109.0456	2.719	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	109.9133	0.382	3	109.7638	0.187	4	109.0456	2.719	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	109.3150	0.000	1	109.7638	0.187	4	109.0456	2.719	5	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	107.0570	0.000	1	106.8907	0.025	3	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	106.8075	0.088	2	106.8907	0.025	3	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	106.0880	0.000	1	106.0880	0.000	1	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	105.8430	0.000	1	105.8430	0.000	1	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	107.9950	1.792	3	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	105.5200	0.000	1	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	105.6805	0.110	2	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	106.9960	0.000	1	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	106.1549	0.450	15	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	109.1260	0.000	1	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	107.2210	0.177	4	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	107.2854	0.253	9	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	106.2500	0.000	1	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	107.1103	0.569	8	106.8199	0.821	45	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	108.5220	0.351	2	108.5220	0.123	2	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	106.5140	0.000	1	106.4220	0.017	2	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	106.3300	0.000	1	106.4220	0.017	2	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	106.7110	0.000	1	107.8397	0.727	9	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){5|C<4>,8|H<1>}	107.9808	0.792	8	107.8397	0.727	9	106.9832	0.927	63	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	105.2750	0.000	1	105.2750	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	110.5550	0.000	1	110.5550	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	112.5070	0.000	1	112.5070	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	107.7970	1.321	2	108.2300	1.435	3	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	109.0960	0.000	1	108.2300	1.435	3	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	110.0790	0.000	1	110.0790	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	109.1500	0.000	1	109.1500	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.1860	0.710	6	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	107.3438	1.100	8	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.1310	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	107.7630	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	108.6053	0.690	3	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.2440	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	108.7594	1.113	5	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	107.9931	0.640	49	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	108.8700	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	107.2010	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.1205	0.199	2	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	108.7620	1.741	2	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	108.9890	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	108.4557	0.564	3	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	108.4565	0.504	4	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	108.9437	0.190	6	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	108.6367	0.338	3	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	108.5259	0.412	7	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	109.3873	0.322	3	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	108.5799	0.540	109	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	108.0172	0.767	6	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	108.5645	0.159	2	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	109.8640	0.000	1	108.3956	0.517	225	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	108.8005	0.091	2	108.8005	0.008	2	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.7560	0.399	2	109.7560	0.159	2	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	109.9953	0.510	3	109.9953	0.260	3	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	111.9880	0.000	1	111.9880	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.4185	0.194	2	108.3178	1.642	4	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.3080	0.000	1	108.3178	1.642	4	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	110.1260	0.000	1	108.3178	1.642	4	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	107.4500	0.000	1	107.4500	0.000	1	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	108.4930	0.132	2	108.4930	0.017	2	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	108.6340	0.754	2	108.6340	0.568	2	108.4613	0.740	250	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	107.8860	0.000	1	107.8860	0.000	1	108.4402	0.272	4	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	109.1310	0.000	1	109.1310	0.000	1	108.4402	0.272	4	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	108.3720	0.153	2	108.3720	0.023	2	108.4402	0.272	4	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	108.2754	1.370	340	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:2:1:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:2:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	105.7100	0.000	1	105.7100	0.000	1	106.4980	1.242	2	106.4980	1.242	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:4:	4:2:1:1:	4:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	107.2860	0.000	1	107.2860	0.000	1	106.4980	1.242	2	106.4980	1.242	2	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	107.2470	0.000	1	107.2470	0.000	1	107.6710	0.135	3	107.6710	0.135	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.8830	0.000	2	107.8830	0.000	2	107.6710	0.135	3	107.6710	0.135	3	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	108.8655	4.071	787	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:2:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|O<1>,3|C<3>}	109.8035	0.170	2	109.8035	0.029	2	109.8035	0.029	2	111.4977	1.730	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	112.5037	0.199	3	112.1754	0.579	5	112.1754	0.579	5	111.4977	1.730	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	111.6830	1.195	2	112.1754	0.579	5	112.1754	0.579	5	111.4977	1.730	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:2:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	110.0500	0.000	1	110.0500	0.000	1	110.0500	0.000	1	110.0500	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,3|C<3>}	107.2645	0.511	4	107.2645	0.261	4	107.2645	0.261	4	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,1|O<1>,4|C<3>}	110.0540	0.000	1	110.0540	0.000	1	109.8790	0.061	2	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.8790	0.061	2	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	107.5182	2.135	10	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH)	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.1130	0.438	2	111.1130	0.192	2	111.1130	0.192	2	110.8923	0.242	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.8923	0.242	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	111.5290	0.376	3	111.5290	0.141	3	111.5290	0.141	3	111.5290	0.141	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	104.9645	0.920	2	104.8887	0.320	4	105.4530	1.832	5	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	104.8130	0.301	2	104.8887	0.320	4	105.4530	1.832	5	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.7100	0.000	1	107.7100	0.000	1	105.4530	1.832	5	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	107.0130	0.503	4	106.5909	0.321	9	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.2532	0.364	5	106.5909	0.321	9	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	109.1980	0.000	1	109.1980	0.000	1	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,4|H<1>}	110.9920	0.000	1	110.9920	0.000	1	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	107.3080	0.000	1	106.2470	0.978	3	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.7165	0.517	2	106.2470	0.978	3	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	107.4903	0.665	4	107.3324	0.457	5	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.7010	0.000	1	107.3324	0.457	5	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.0185	0.169	4	108.0185	0.029	4	107.2602	1.525	23	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	107.2470	0.000	1	107.2470	0.000	1	105.9073	0.968	4	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	106.0160	0.000	1	105.6775	0.229	2	105.9073	0.968	4	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	105.3390	0.000	1	105.6775	0.229	2	105.9073	0.968	4	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	105.0270	0.000	1	105.0270	0.000	1	105.9073	0.968	4	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.0242	2.494	35	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	106.1410	0.000	1	106.1410	0.000	1	107.1740	2.134	2	107.1740	2.134	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.2070	0.000	1	108.2070	0.000	1	107.1740	2.134	2	107.1740	2.134	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.4935	0.309	2	106.4935	0.095	2	106.4935	0.095	2	106.4935	0.095	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	106.9820	0.000	1	108.0723	1.389	3	108.2123	1.627	6	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	108.6175	0.998	2	108.0723	1.389	3	108.2123	1.627	6	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	106.5540	0.000	1	108.3523	2.620	3	108.2123	1.627	6	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	109.2515	0.623	2	108.3523	2.620	3	108.2123	1.627	6	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.9410	0.540	3	108.9410	0.291	3	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.0820	0.100	2	109.0820	0.010	2	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	105.7760	0.000	1	105.7760	0.000	1	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	110.4105	0.151	2	110.4105	0.023	2	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<4>,4|H<1>}	110.3883	1.146	3	110.3883	1.313	3	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.6580	0.000	1	110.6580	0.000	1	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	107.4590	0.000	1	107.4590	0.000	1	109.2974	2.283	13	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	107.5980	0.000	1	107.5980	0.000	1	107.6650	0.009	2	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O){1|H<1>,1|N<3>,4|C<3>}	107.7320	0.000	1	107.7320	0.000	1	107.6650	0.009	2	108.8319	2.169	21	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:2:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O)	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	108.0477	0.212	3	108.0477	0.045	3	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,4|C<4>}	107.6330	0.421	2	107.2417	0.548	3	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|O<1>,4|C<4>}	106.4590	0.000	1	107.2417	0.548	3	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.0373	1.965	4	110.5392	2.948	6	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|C<4>,2|H<1>,2|O<1>}	109.2430	0.000	1	110.5392	2.948	6	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.8430	0.000	1	110.5392	2.948	6	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.6150	0.000	1	110.6150	0.000	1	109.2091	3.682	13	109.2091	3.682	13	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|O<1>,4|C<4>}	107.8860	0.389	2	107.8860	0.151	2	109.9532	5.685	6	109.9532	5.685	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|C<4>,2|H<1>,2|O<1>}	113.3320	0.000	1	113.3320	0.000	1	109.9532	5.685	6	109.9532	5.685	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	111.7950	0.000	1	111.7950	0.000	1	109.9532	5.685	6	109.9532	5.685	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){2|C<4>,2|H<1>,2|O<1>}	110.8810	0.000	1	110.8810	0.000	1	109.9532	5.685	6	109.9532	5.685	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.9390	0.000	1	107.9390	0.000	1	109.9532	5.685	6	109.9532	5.685	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	113.9450	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	109.9190	0.000	1	109.9190	0.000	1	109.4970	0.149	3	110.0062	0.860	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	109.4090	0.000	1	109.4090	0.000	1	109.4970	0.149	3	110.0062	0.860	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	109.1630	0.000	1	109.1630	0.000	1	109.4970	0.149	3	110.0062	0.860	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	110.3555	1.514	2	110.3555	2.292	2	110.3555	2.292	2	110.0062	0.860	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.0062	0.860	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:4:1:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]MoH)(O)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]MoH)(O){1|C<4>,2|C<3>,3|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	110.3613	1.753	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5970	0.017	2	109.5970	0.000	2	109.5970	0.000	2	110.3613	1.753	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.2400	1.095	2	109.3831	0.233	7	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7470	0.000	1	109.3831	0.233	7	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.3638	0.087	4	109.3831	0.233	7	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	112.0250	0.000	1	112.0250	0.000	1	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.0560	0.000	1	110.0560	0.000	1	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	109.2310	0.000	1	109.2310	0.000	1	109.6994	0.872	10	109.6933	0.785	11	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH){2|C<4>,2|H<1>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3){5|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	108.4522	1.283	5	108.4522	1.647	5	108.4522	1.647	5	108.4522	1.647	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:2:4:	4:4:4:1:	4:3:4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){2|C<4>,2|H<1>,4|C<3>}	102.5020	0.000	1	102.5020	0.000	1	102.5020	0.000	1	108.4520	26.787	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	111.4270	0.686	2	111.4270	0.470	2	111.4270	0.470	2	108.4520	26.787	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	106.9510	1.140	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<3>,3|C<4>}	106.4235	0.781	2	106.4235	0.611	2	106.4235	0.611	2	106.9510	1.140	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	105.4475	0.487	2	105.4475	0.237	2	105.4475	0.237	2	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6,6a]C[6,6]C)(C[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	106.9160	0.006	2	106.9160	0.000	2	106.9160	0.000	2	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>}	105.6300	0.098	2	105.6300	0.010	2	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	107.2280	0.000	1	107.2280	0.000	1	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	106.1195	0.688	2	106.1195	0.473	2	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	106.1880	0.656	4	106.3000	0.386	5	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	106.7480	0.000	1	106.3000	0.386	5	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>}	107.1245	0.193	2	106.5750	0.343	10	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|F<1>,1|O<1>,3|C<4>}	106.4376	0.573	8	106.5750	0.343	10	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.1053	0.260	3	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.4510	0.667	9	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.8251	0.921	14	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.4660	0.164	2	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.1790	0.000	1	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.7850	0.000	1	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.6700	0.000	1	106.6933	0.573	31	106.5778	0.515	51	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<4>}	105.9840	0.772	2	105.9840	0.596	2	105.9840	0.596	2	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	105.6270	0.000	1	105.6270	0.000	1	105.6270	0.000	1	106.5532	0.592	60	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O){1|C<3>,2|H<1>,4|C<4>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	110.3295	0.483	2	110.3295	0.233	2	110.3295	0.233	2	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O){3|C<3>,4|C<4>,6|H<1>}	109.4540	1.966	2	109.4540	3.864	2	109.4540	3.864	2	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	105.1633	1.106	4	105.1633	1.224	4	106.0342	4.231	6	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	105.7290	0.000	1	105.7290	0.000	1	106.0342	4.231	6	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.8230	0.000	1	109.8230	0.000	1	106.0342	4.231	6	107.6197	5.728	12	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.0907	0.405	4	110.0907	0.164	4	110.0907	0.164	4	109.5607	1.511	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.8785	0.494	2	107.8785	0.244	2	108.8540	2.977	3	109.5607	1.511	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.8050	0.000	1	110.8050	0.000	1	108.8540	2.977	3	109.5607	1.511	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	106.6550	6.337	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	104.8750	0.000	1	104.8750	0.000	1	104.8750	0.000	1	106.6550	6.337	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	106.9448	3.455	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	106.9448	3.455	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	105.1690	0.000	1	106.0913	0.748	3	106.0913	0.748	3	106.9448	3.455	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	106.5525	0.469	2	106.0913	0.748	3	106.0913	0.748	3	106.9448	3.455	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	108.3390	8.405	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|O<1>,3|H<1>,5|C<4>}	110.3890	0.000	1	110.3890	0.000	1	110.3890	0.000	1	108.3390	8.405	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6,6]O)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6,6]O)(O){1|O<2>,4|H<1>,6|C<4>}	109.4620	0.051	2	109.4620	0.003	2	109.4620	0.003	2	107.8063	4.255	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O){1|O<2>,5|H<1>,8|C<4>}	109.3240	0.000	1	109.3240	0.000	1	108.2175	2.449	2	107.8063	4.255	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O){1|O<2>,5|C<4>,8|H<1>}	107.1110	0.000	1	107.1110	0.000	1	108.2175	2.449	2	107.8063	4.255	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){1|O<2>,6|H<1>,7|C<4>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	107.8063	4.255	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(O){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	107.8063	4.255	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-3:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O){3|H<1>,7|C<4>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	107.6260	0.986	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	107.6260	0.986	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	107.5447	3.110	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-2:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	107.5447	3.110	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[5,6])(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[5,6])(O){1|C<3>,3|C<4>,4|H<1>}	106.7640	0.000	1	106.7640	0.000	1	106.6562	0.939	4	107.5447	3.110	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	106.9245	1.498	2	106.9245	2.245	2	106.6562	0.939	4	107.5447	3.110	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){2|H<1>,2|O<2>,4|C<4>}	106.0120	0.000	1	106.0120	0.000	1	106.6562	0.939	4	107.5447	3.110	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[3,6,6]C)(C[5,6]C[5,6,6]O[5])(H){1|H<1>,2|O<2>,6|C<4>}	108.6375	0.408	2	108.6375	0.166	2	108.6375	0.166	2	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	105.5970	0.000	1	103.9013	2.284	3	103.9013	2.284	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	103.4100	0.000	1	103.9013	2.284	3	103.9013	2.284	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	102.6970	0.000	1	103.9013	2.284	3	103.9013	2.284	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.3285	0.592	2	104.3285	0.350	2	104.3285	0.350	2	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.7645	0.968	4	108.7645	0.936	4	108.6578	0.615	6	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	108.6990	0.000	1	108.4445	0.130	2	108.6578	0.615	6	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	108.1900	0.000	1	108.4445	0.130	2	108.6578	0.615	6	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	104.4880	0.000	1	104.4880	0.000	1	104.4880	0.000	1	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.0365	0.554	2	109.0365	0.307	2	109.0365	0.307	2	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[4x6]C[6]2)(H)3	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O)	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[4x6]C[6]2)(H)3	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O){1|C<3>,3|C<4>,4|H<1>}	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	106.3095	0.326	2	106.3095	0.106	2	106.3095	0.106	2	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.7290	0.000	1	107.6825	0.004	2	108.2253	0.886	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	107.6360	0.000	1	107.6825	0.004	2	108.2253	0.886	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.3110	0.000	1	109.3110	0.000	1	108.2253	0.886	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	107.6647	0.704	3	107.6647	0.495	3	107.6647	0.495	3	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,5|C<4>}	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	107.9100	0.000	1	107.9100	0.000	1	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	107.9270	0.000	1	107.9270	0.000	1	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.3670	0.000	1	107.3670	0.000	1	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	106.7570	0.000	1	106.4333	0.293	3	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	106.2715	0.655	2	106.4333	0.293	3	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	105.8407	0.470	3	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|N<2>,2|H<1>,4|C<4>}	108.0680	0.000	1	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	106.4130	0.000	1	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	105.6796	0.591	5	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	106.9460	0.563	3	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	106.0390	0.476	3	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	105.9875	1.706	2	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	105.5860	0.564	2	106.1252	0.732	20	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	110.3630	0.000	1	110.3630	0.000	1	106.4952	1.424	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	104.6470	0.000	1	104.6470	0.000	1	104.2448	9.303	4	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O){1|C<3>,2|H<1>,4|C<4>}	108.4070	0.000	1	108.4070	0.000	1	104.2448	9.303	4	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,4|C<4>}	101.9625	0.067	2	101.9625	0.005	2	104.2448	9.303	4	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	106.5760	0.000	1	106.5760	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	105.7000	0.253	2	105.7000	0.064	2	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|B<4>,1|C<4>,6|H<1>}	109.3685	0.227	2	109.3685	0.052	2	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	107.6720	0.000	1	107.6720	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	106.4260	0.000	1	106.4260	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	105.2150	0.000	1	105.2150	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	107.0290	0.000	1	107.0290	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	106.6700	0.000	1	106.6700	0.000	1	106.9725	2.107	10	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	104.9660	0.000	1	104.9660	0.000	1	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){4|C<4>,4|H<1>}	105.0080	0.000	1	105.0080	0.000	1	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){3|C<4>,4|H<1>}	105.3650	0.000	1	105.3650	0.000	1	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,4|H<1>}	104.9970	0.000	1	104.9970	0.000	1	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	110.1620	0.000	1	110.1620	0.000	1	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O){2|C<3>,2|C<4>,3|H<1>}	108.8555	0.599	2	108.8555	0.359	2	106.8870	5.324	7	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	105.8794	0.142	5	105.8794	0.020	5	108.0193	1.348	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<4>,4|H<1>}	108.7260	0.498	6	108.7260	0.248	6	108.0193	1.348	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){2|C<4>,6|H<1>}	108.6620	0.000	1	108.9700	0.106	3	108.0193	1.348	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	109.1240	0.263	2	108.9700	0.106	3	108.0193	1.348	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	108.2968	0.571	13	108.2968	0.326	13	108.0193	1.348	27	107.0919	3.305	103	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<2>,3|C<4>,4|H<1>}	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	107.8352	5.631	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO){1|O<1>,3|C<4>,3|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	107.8352	5.631	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	106.1255	0.414	4	106.1255	0.172	4	106.7257	1.042	7	107.8352	5.631	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO){3|C<4>,5|H<1>}	107.4585	1.532	2	107.4585	2.348	2	106.7257	1.042	7	107.8352	5.631	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,3|C<4>,4|H<1>}	107.6610	0.000	1	107.6610	0.000	1	106.7257	1.042	7	107.8352	5.631	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	106.2785	0.090	2	106.2785	0.008	2	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	106.8520	0.000	1	106.8520	0.000	1	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	106.8170	0.000	1	106.8170	0.000	1	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	104.7790	0.000	1	106.2695	0.488	8	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	106.4824	0.382	7	106.2695	0.488	8	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO){3|C<4>,5|H<1>}	105.9403	0.515	4	105.9403	0.265	4	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	107.1100	0.000	1	107.1100	0.000	1	106.3090	0.373	17	106.3090	0.373	17	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	107.7615	0.455	2	107.7615	0.207	2	107.7615	0.207	2	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	105.9310	0.000	1	105.9310	0.000	1	107.2435	3.445	2	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	108.5560	0.000	1	108.5560	0.000	1	107.2435	3.445	2	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O){2|H<1>,6|C<4>}	102.9110	0.000	1	102.9110	0.000	1	102.9110	0.000	1	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	106.2600	0.839	2	106.2600	0.703	2	107.1012	1.310	4	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3){3|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	107.9425	0.629	2	107.9425	0.395	2	107.1012	1.310	4	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	108.5680	0.304	2	107.2443	5.303	3	106.1912	7.971	4	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	104.5970	0.000	1	107.2443	5.303	3	106.1912	7.971	4	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	103.0320	0.000	1	103.0320	0.000	1	106.1912	7.971	4	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	109.1920	0.041	2	109.1920	0.002	2	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	106.4100	1.564	3	106.6947	1.954	4	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	107.5490	0.000	1	106.6947	1.954	4	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	108.5948	0.702	6	108.5142	0.345	9	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	108.2265	0.299	2	108.5142	0.345	9	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	108.6060	0.000	1	108.5142	0.345	9	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	110.4320	0.000	1	110.4320	0.000	1	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	108.4050	0.000	1	108.8475	0.392	2	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	109.2900	0.000	1	108.8475	0.392	2	108.3288	1.557	18	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.3690	0.000	1	105.8803	9.190	3	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	104.1360	0.351	2	105.8803	9.190	3	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	105.3530	0.000	1	105.3530	0.000	1	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|N<3>,3|C<4>,4|H<1>}	107.7190	0.000	1	107.7190	0.000	1	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.0120	0.000	1	105.5640	0.945	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	105.8580	0.000	1	105.5640	0.945	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	105.3167	1.286	3	105.5640	0.945	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	101.6930	0.000	1	101.6930	0.000	1	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	110.7390	0.000	1	110.7390	0.000	1	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	108.4900	0.000	1	108.4900	0.000	1	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	109.5210	0.000	1	107.3763	3.584	3	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	106.6700	0.000	1	107.3763	3.584	3	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	105.9380	0.000	1	107.3763	3.584	3	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	106.7680	0.000	1	106.2202	0.420	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	106.2853	0.638	3	106.2202	0.420	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	105.4770	0.000	1	106.2202	0.420	5	106.3183	4.319	21	107.0734	3.979	53	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO){1|O<2>,2|H<1>,5|C<4>}	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	109.9647	1.849	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO){2|C<3>,2|C<4>,4|H<1>}	110.7490	0.088	2	110.7490	0.008	2	110.7490	0.008	2	109.9647	1.849	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	106.2890	0.000	1	106.2890	0.000	1	106.0370	0.127	2	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	105.7850	0.000	1	105.7850	0.000	1	106.0370	0.127	2	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	106.4007	0.297	3	106.4007	0.088	3	107.0219	0.314	20	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH){3|C<4>,5|H<1>}	107.4567	0.607	3	107.4567	0.369	3	107.0219	0.314	20	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH){3|C<4>,5|H<1>}	108.1510	0.000	1	108.1510	0.000	1	107.0219	0.314	20	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	107.1900	0.000	1	106.9780	0.170	13	107.0219	0.314	20	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	106.9603	0.425	12	106.9780	0.170	13	107.0219	0.314	20	106.9323	0.375	22	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	106.7652	2.143	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.7652	2.143	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	106.3057	1.671	3	106.3057	2.791	3	106.3057	2.791	3	106.7652	2.143	5	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	106.6140	0.000	1	106.6140	0.000	1	106.7320	0.028	2	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	106.8500	0.000	1	106.8500	0.000	1	106.7320	0.028	2	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:S-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	110.0970	0.000	1	110.0970	0.000	1	108.8907	2.576	3	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:S-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	107.0690	0.000	1	107.0690	0.000	1	108.8907	2.576	3	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:S-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	109.5060	0.000	1	109.5060	0.000	1	108.8907	2.576	3	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:4:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:S-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	109.6930	0.540	2	109.6930	0.292	2	109.6930	0.292	2	108.5031	2.505	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|O<2>,4|C<4>}	109.1723	0.182	3	109.1723	0.033	3	109.1723	0.033	3	109.0911	0.266	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.0302	0.706	4	109.0302	0.498	4	109.0302	0.498	4	109.0911	0.266	7	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:3:2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.3647	0.938	3	111.3647	0.880	3	111.3647	0.880	3	111.3647	0.880	3	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	105.7820	0.000	1	105.7820	0.000	1	105.5775	0.084	2	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	105.3730	0.000	1	105.3730	0.000	1	105.5775	0.084	2	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	108.0800	0.007	2	108.0800	0.000	2	108.0800	0.000	2	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.4040	0.247	2	109.4040	0.061	2	109.4040	0.061	2	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.0010	0.997	2	110.0010	0.994	2	110.0010	0.994	2	108.5528	3.776	9	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){4|C<4>,4|H<1>}	106.5420	0.000	1	106.5420	0.000	1	105.5027	1.556	4	105.5027	1.556	4	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|N<3>,2|C<4>,5|H<1>}	105.8795	0.302	2	105.1563	1.614	3	105.5027	1.556	4	105.5027	1.556	4	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(O){1|N<3>,2|C<4>,5|H<1>}	103.7100	0.000	1	105.1563	1.614	3	105.5027	1.556	4	105.5027	1.556	4	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	107.9942	1.647	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	108.3310	0.000	1	108.3310	0.000	1	107.5956	0.867	5	107.9942	1.647	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	107.4117	0.965	4	107.4117	0.931	4	107.5956	0.867	5	107.9942	1.647	6	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	110.0125	13.703	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:S-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	110.0125	13.703	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:2:1:	4:3:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.4275	0.101	2	109.4275	0.010	2	109.4275	0.010	2	109.4275	0.010	2	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:C-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	105.3210	0.000	1	105.3210	0.000	1	105.3210	0.000	1	105.3210	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6,6]	C	C[6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	107.6999	4.228	506	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[3x6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C(C[6]C[3x6]C[5,6]H)(H)3	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[5,6]H)(H)3	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:1:	4:4:1:1:	3:4:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.8260	1.248	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:1:	4:4:1:1:	3:4:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	112.8260	1.248	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:1:	4:4:3:1:	3:3:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:1:	4:4:4:1:	3:3:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1150	0.243	2	118.1150	0.059	2	118.1150	0.059	2	118.1150	0.059	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.0490	1.797	2	112.0490	3.231	2	112.2507	1.163	4	112.2507	1.163	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	112.4525	0.310	2	112.4525	0.096	2	112.2507	1.163	4	112.2507	1.163	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	111.7790	1.099	2	111.7790	1.207	2	111.7790	1.207	2	111.7790	1.207	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:2:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	112.0995	1.190	2	112.0995	1.416	2	112.0995	1.416	2	112.0995	1.416	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:1:1:1:	3:4:2:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]N[6]H)(H)3	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C(C[6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	111.3648	0.496	4	111.5023	0.193	6	111.5023	0.193	6	111.5023	0.193	6	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C(C[6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	111.7775	0.028	2	111.5023	0.193	6	111.5023	0.193	6	111.5023	0.193	6	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:2:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C(C[6]C[6,6]2H)(OC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(OC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	112.3140	0.597	2	111.8978	0.350	4	111.8978	0.350	4	111.8978	0.350	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:2:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C(C[6]C[6,6]2H)(OC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(OC)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	111.4815	0.013	2	111.8978	0.350	4	111.8978	0.350	4	111.8978	0.350	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CC[6a]O)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	112.4805	0.740	2	112.4805	0.548	2	112.4805	0.548	2	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]H)(CCO)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.6720	0.000	1	110.4992	1.293	5	110.4992	1.293	5	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	110.2060	1.073	4	110.4992	1.293	5	110.4992	1.293	5	111.6897	2.390	10	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	109.6368	0.516	4	109.6368	0.266	4	110.3250	2.568	5	110.3250	2.568	5	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	113.0780	0.000	1	113.0780	0.000	1	110.3250	2.568	5	110.3250	2.568	5	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.9750	1.249	2	112.0710	0.699	4	112.1442	0.441	6	112.1442	0.441	6	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	112.1670	0.707	2	112.0710	0.699	4	112.1442	0.441	6	112.1442	0.441	6	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	112.2905	0.206	2	112.2905	0.042	2	112.1442	0.441	6	112.1442	0.441	6	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:3:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	109.0940	0.000	1	109.0940	0.000	1	110.9995	7.262	2	110.9995	7.262	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	112.9050	0.000	1	112.9050	0.000	1	110.9995	7.262	2	110.9995	7.262	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:2:	4:3:2:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	109.6530	0.601	2	109.6530	0.361	2	109.6530	0.361	2	109.6530	0.361	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:2:	4:4:1:1:	4:3:2:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	104.2540	0.000	1	104.2540	0.000	1	104.2540	0.000	1	104.2540	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:2:4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	109.9230	0.689	4	109.9230	0.475	4	109.9230	0.475	4	109.9230	0.475	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	111.2580	0.984	2	111.2580	0.969	2	111.2580	0.969	2	111.2580	0.969	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	108.7300	1.749	2	109.3198	1.262	6	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|H<1>,2|O<1>,5|C<4>}	109.6148	0.858	4	109.3198	1.262	6	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	109.5605	1.420	4	109.5605	2.016	4	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	109.0840	1.718	2	109.4523	1.572	4	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	109.8205	1.105	2	109.4523	1.572	4	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	109.4951	1.046	20	109.3385	1.077	28	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){2|H<1>,2|O<1>,4|C<4>}	109.3160	0.605	2	109.3385	1.077	28	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.8238	1.081	6	109.3385	1.077	28	109.3678	1.131	42	109.3678	1.131	42	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	110.0295	2.478	2	110.0295	6.143	2	109.5170	1.352	10	109.1727	3.708	18	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|O<2>,2|O<1>,4|C<4>}	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	109.3889	0.876	8	109.3889	0.767	8	109.5170	1.352	10	109.1727	3.708	18	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	111.0860	0.877	2	111.0860	0.769	2	111.0860	0.769	2	109.1727	3.708	18	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]N[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	111.1325	1.146	2	111.1325	1.314	2	111.1325	1.314	2	109.1727	3.708	18	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	106.3755	0.656	4	106.3755	0.431	4	106.3755	0.431	4	109.1727	3.708	18	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	109.9900	6.866	3	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	3:4:4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	108.8290	2.376	2	108.8290	5.645	2	108.8290	5.645	2	109.9900	6.866	3	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	109.5505	2.310	2	109.5505	5.337	2	109.5505	5.337	2	109.5505	5.337	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Li<5>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,1|H<1>,3|C<3>}	110.4150	2.455	2	110.4150	6.027	2	109.5242	1.756	6	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(CH3)2{1|Th<17>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>}	109.0787	0.352	4	109.0787	0.124	4	109.5242	1.756	6	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	110.8240	0.945	2	110.8240	0.892	2	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	110.4645	0.712	8	110.4645	0.507	8	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	110.3570	2.737	2	110.6316	1.780	10	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	110.4350	0.175	2	110.6316	1.780	10	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	110.7887	1.274	6	110.6316	1.780	10	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	110.9317	0.392	4	110.9317	0.154	4	110.6420	0.938	24	110.4184	1.254	30	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:2:1:1:	3:4:4:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	106.4650	0.000	1	106.4650	0.000	1	106.4650	0.000	1	106.4650	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:3:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.6178	0.455	4	109.6178	0.207	4	109.6178	0.207	4	109.6178	0.207	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.6105	0.421	2	108.6105	0.177	2	108.6105	0.177	2	108.6105	0.177	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.9405	0.811	2	110.9405	0.658	2	110.8498	0.515	4	111.1346	2.113	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.7590	0.923	2	110.7590	0.853	2	110.8498	0.515	4	111.1346	2.113	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	112.7920	0.765	2	112.7920	0.585	2	112.7920	0.585	2	111.1346	2.113	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	111.1346	2.113	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	115.5340	0.000	1	115.5340	0.000	1	115.5340	0.000	1	113.9000	5.340	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	113.9000	5.340	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	112.9920	0.000	1	112.9920	0.000	1	112.3885	0.728	2	112.3885	0.728	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	111.7850	0.000	1	111.7850	0.000	1	112.3885	0.728	2	112.3885	0.728	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	111.3410	0.000	1	111.3410	0.000	1	112.8775	4.722	2	113.2295	3.790	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	114.4140	0.000	1	114.4140	0.000	1	112.8775	4.722	2	113.2295	3.790	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	114.6553	1.434	3	114.6553	2.057	3	113.3468	4.295	6	113.2295	3.790	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	113.1170	0.328	2	113.1170	0.108	2	113.3468	4.295	6	113.2295	3.790	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	109.8810	0.000	1	109.8810	0.000	1	113.3468	4.295	6	113.2295	3.790	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CCO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	109.6335	0.361	2	109.6335	0.131	2	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	111.1100	0.000	1	111.1100	0.000	1	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	112.6450	0.000	1	112.6450	0.000	1	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	111.3080	0.648	5	111.3080	0.420	5	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	111.7620	0.835	5	111.7620	0.698	5	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.1255	0.310	2	113.1255	0.096	2	111.5389	1.261	16	111.5389	1.261	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	110.9390	0.000	1	110.9390	0.000	1	111.0906	5.584	7	111.0906	5.584	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	110.4490	0.000	1	110.4490	0.000	1	111.0906	5.584	7	111.0906	5.584	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	111.9790	0.000	1	111.9790	0.000	1	111.0906	5.584	7	111.0906	5.584	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	110.0997	3.244	3	110.0997	10.526	3	111.0906	5.584	7	111.0906	5.584	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	113.9680	0.000	1	113.9680	0.000	1	111.0906	5.584	7	111.0906	5.584	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	112.0410	0.000	1	112.0410	0.000	1	113.6330	5.069	2	113.6330	5.069	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	115.2250	0.000	1	115.2250	0.000	1	113.6330	5.069	2	113.6330	5.069	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:1:	4:4:4:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	112.3670	0.000	1	112.3670	0.000	1	111.4443	0.779	3	111.4443	0.779	3	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	111.3580	0.000	1	111.3580	0.000	1	111.4443	0.779	3	111.4443	0.779	3	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.6080	0.000	1	110.6080	0.000	1	111.4443	0.779	3	111.4443	0.779	3	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:3:	4:2:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	109.0545	1.988	2	109.0545	3.951	2	109.0545	3.951	2	109.6465	5.417	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	109.3080	1.993	2	109.3080	3.971	2	109.7311	5.885	14	109.6465	5.417	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	109.9256	2.464	8	109.9256	6.071	8	109.7311	5.885	14	109.6465	5.417	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	109.5535	3.122	4	109.5535	9.750	4	109.7311	5.885	14	109.6465	5.417	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-2:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.2474	1.801	8	108.2474	3.244	8	108.5509	2.441	16	108.5509	2.441	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-2:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CC)(N[6]N[6]){1|Pu<11>,1|C<3>,2|H<1>,3|C<4>}	108.8544	1.333	8	108.8544	1.777	8	108.5509	2.441	16	108.5509	2.441	16	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	109.9925	0.139	2	109.9925	0.019	2	110.5380	0.374	6	109.8671	3.462	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	110.6530	0.085	2	110.6530	0.007	2	110.5380	0.374	6	109.8671	3.462	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|N<3>,2|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	110.9685	0.923	2	110.9685	0.852	2	110.5380	0.374	6	109.8671	3.462	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:N-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3)	C(C[6]C[6,6]C[6]N)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd){1|C<4>,3|H<1>,4|C<3>}	105.8420	0.000	1	105.8420	0.000	1	105.8420	0.000	1	109.8671	3.462	7	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	109.4205	0.153	2	109.4205	0.024	2	109.7159	1.906	8	109.7159	1.906	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	107.2560	0.000	1	107.2560	0.000	1	109.7159	1.906	8	109.7159	1.906	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	108.6670	0.000	1	108.6670	0.000	1	109.7159	1.906	8	109.7159	1.906	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	110.2700	0.526	2	110.2700	0.277	2	109.7159	1.906	8	109.7159	1.906	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	111.2115	0.793	2	111.2115	0.628	2	109.7159	1.906	8	109.7159	1.906	8	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.1145	1.220	2	111.1145	1.488	2	111.1145	1.488	2	111.0828	0.697	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	111.0510	0.775	2	111.0510	0.601	2	111.0510	0.601	2	111.0828	0.697	4	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	111.5735	2.078	2	110.9147	3.869	4	110.9147	3.869	4	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)2{4|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.2560	2.356	2	110.9147	3.869	4	110.9147	3.869	4	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[5]C[6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.4150	0.000	1	106.4150	0.000	1	110.9621	4.261	7	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.8810	0.376	2	111.8810	0.142	2	110.9621	4.261	7	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	111.6395	0.639	4	111.6395	0.408	4	110.9621	4.261	7	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.8715	2.207	2	109.8715	4.870	2	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.4650	3.137	2	110.4650	9.839	2	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	110.6150	2.680	2	110.6150	7.182	2	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.9680	0.556	2	109.9680	0.309	2	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.6350	0.546	2	111.6350	0.298	2	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.2497	0.317	6	110.2497	0.100	6	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	111.3830	2.803	2	111.0316	5.949	12	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.8538	1.864	4	111.0316	5.949	12	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	110.2185	3.903	2	111.0316	5.949	12	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	110.4402	2.958	4	111.0316	5.949	12	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.7016	2.132	24	110.6903	5.088	28	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.1090	3.889	2	110.6903	5.088	28	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	110.1355	4.086	2	110.6903	5.088	28	110.6842	4.230	56	110.7243	4.037	68	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:2:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:3:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	111.1800	0.632	2	111.1800	0.400	2	111.1800	0.400	2	111.1800	0.400	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	110.1790	0.000	1	110.1790	0.000	1	108.6235	4.839	2	108.6235	4.839	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	107.0680	0.000	1	107.0680	0.000	1	108.6235	4.839	2	108.6235	4.839	2	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	110.5783	4.386	345	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:3:4:	4:1:1:1:	4:3:1:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:3:4:	4:1:1:1:	4:3:2:	O-2:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	C[6](OC[5x3,5x5,20x6])(C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	112.5950	0.000	1	112.5950	0.000	1	112.0013	0.266	3	112.0013	0.266	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	111.7045	0.063	2	111.7045	0.004	2	112.0013	0.266	3	112.0013	0.266	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	4:2:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>}	109.8980	0.000	1	109.8980	0.000	1	109.8980	0.000	1	107.9370	7.691	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	4:2:1:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-2:H-1:	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	105.9760	0.000	1	105.9760	0.000	1	105.9760	0.000	1	107.9370	7.691	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:1:1:1:	4:3:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	110.2123	0.803	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:O-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	109.9042	0.540	5	109.9042	0.292	5	109.9042	0.292	5	110.2123	0.803	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	112.7820	0.000	1	112.7820	0.000	1	111.3990	3.825	2	111.9167	2.717	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	110.0160	0.000	1	110.0160	0.000	1	111.3990	3.825	2	111.9167	2.717	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	3:4:1:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	111.9167	2.717	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	3:4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|C<3>,1|C<4>,1|H<1>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:2:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	110.0440	0.362	2	110.0440	0.131	2	110.0440	0.131	2	110.0440	0.131	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:2:1:	3:4:1:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:2:1:	4:2:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(O)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:3:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	112.7700	0.000	1	112.7700	0.000	1	112.9527	0.745	4	112.9527	0.745	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:3:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	113.0137	1.047	3	113.0137	1.095	3	112.9527	0.745	4	112.9527	0.745	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:3:4:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	113.7848	0.970	5	113.7848	0.940	5	113.7848	0.940	5	113.7848	0.940	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	112.2620	0.000	1	112.2620	0.000	1	111.3840	1.542	2	112.6442	2.130	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	110.5060	0.000	1	110.5060	0.000	1	111.3840	1.542	2	112.6442	2.130	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	113.4843	0.918	3	113.4843	0.842	3	113.4843	0.842	3	112.6442	2.130	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:2:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	113.6685	1.315	4	113.6685	1.728	4	113.6685	1.728	4	112.7802	5.242	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:2:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	112.7802	5.242	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:2:1:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:2:1:	3:4:3:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:N-3:	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO){2|C<3>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:3:1:	4:2:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:3:2:	4:2:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	112.5020	0.000	1	112.5020	0.000	1	112.1280	0.280	2	112.1280	0.280	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:1:	2:4:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	111.7540	0.000	1	111.7540	0.000	1	112.1280	0.280	2	112.1280	0.280	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:1:	4:2:1:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:1:	4:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	114.3345	0.424	2	114.3345	0.179	2	114.3345	0.179	2	114.3345	0.179	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:2:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O){2|C<4>}	115.5795	0.145	2	115.5795	0.021	2	115.5795	0.021	2	115.5795	0.021	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:3:	3:4:3:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	115.0950	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:1:	4:4:4:4:	3:4:1:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	114.4925	0.988	2	114.4925	0.976	2	114.4925	0.976	2	114.4925	0.976	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	109.8420	0.445	2	109.8420	0.198	2	109.8420	0.198	2	109.8420	0.198	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO)	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO){1|C<4>,3|C<3>}	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	115.1907	6.605	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	116.1190	0.000	1	116.1190	0.000	1	116.1932	0.718	5	115.1907	6.605	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	116.0960	1.163	3	116.0960	1.353	3	116.1932	0.718	5	115.1907	6.605	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O){2|C<3>}	116.5590	0.000	1	116.5590	0.000	1	116.1932	0.718	5	115.1907	6.605	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:2:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:4:1:1:	4:4:3:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH){1|C<4>,1|H<1>,1|O<2>}	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:2:	4:4:4:1:	2:4:1:	O[6]-2:C[6]-3:C-4:N-2:	C[6]-4:C-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O){2|C<3>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:3:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	112.1790	1.431	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:3:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	112.1790	1.431	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:3:	4:1:1:1:	3:4:3:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO){4|C<3>}	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:3:	4:1:1:1:	4:4:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	112.5105	0.183	2	112.5105	0.034	2	112.5105	0.034	2	112.5105	0.034	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	3:4:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	106.3970	0.273	2	106.3970	0.074	2	106.3970	0.074	2	106.3800	0.038	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	3:4:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	106.3800	0.038	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	107.7960	0.000	1	107.7960	0.000	1	108.2185	0.357	2	108.2185	0.357	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	108.6410	0.000	1	108.6410	0.000	1	108.2185	0.357	2	108.2185	0.357	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|C<3>}	111.2913	0.993	4	111.4685	0.862	6	111.4221	0.926	157	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){1|C<3>,1|C<4>}	111.8230	0.986	2	111.4685	0.862	6	111.4221	0.926	157	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	110.8025	1.824	2	110.8025	3.326	2	111.4221	0.926	157	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H){2|C<3>}	111.7420	0.017	2	111.7420	0.000	2	111.4221	0.926	157	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	111.4243	0.965	147	111.4243	0.931	147	111.4221	0.926	157	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	108.3672	2.124	4	108.3672	4.512	4	108.7209	2.573	8	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	109.2125	1.774	2	109.2125	3.148	2	108.7209	2.573	8	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	108.9365	0.506	2	108.9365	0.256	2	108.7209	2.573	8	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:1:	S[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H)	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H){2|C<3>}	111.5980	0.225	2	111.5980	0.051	2	111.5980	0.051	2	111.2948	1.315	167	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:2:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:S-2:	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo)	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo){1|C<4>,1|N<2>}	111.4912	1.804	4	111.4912	3.256	4	111.3874	2.753	8	111.3874	2.753	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	3:4:2:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:S-2:	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo)	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2{1|C<3>,1|N<2>,1|S<2>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]S)(C[6]O[6]CC)(SCo){1|C<3>,1|N<2>}	111.2835	1.772	4	111.2835	3.138	4	111.3874	2.753	8	111.3874	2.753	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	108.9027	0.501	3	108.9027	0.251	3	109.5177	0.611	7	109.5177	0.611	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	110.3315	0.576	2	110.3315	0.332	2	109.5177	0.611	7	109.5177	0.611	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:1:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	109.6265	0.588	2	109.6265	0.345	2	109.5177	0.611	7	109.5177	0.611	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCH)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCH)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	109.6647	6.354	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	109.0580	0.000	1	109.0580	0.000	1	108.4960	1.335	3	109.6647	6.354	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	2:4:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2{2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	108.2150	1.482	2	108.2150	2.197	2	108.4960	1.335	3	109.6647	6.354	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	110.0785	0.688	2	110.0785	0.473	2	110.0785	0.473	2	110.0785	0.473	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCC)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCC)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	107.7120	0.000	1	107.7120	0.000	1	108.0840	0.277	2	107.6027	0.833	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(COO)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(COO)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	108.4560	0.000	1	108.4560	0.000	1	108.0840	0.277	2	107.6027	0.833	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:3:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	107.6027	0.833	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:4:1:1:	3:4:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]CC)(H){2|C<3>}	111.2545	1.371	2	111.2545	1.880	2	111.2545	1.880	2	111.2545	1.880	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	2:3:4:4:	4:4:1:1:	4:2:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCHH)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C(C[6]C[6]N[6]C)(CCHH)(H)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:3:4:	4:1:1:1:	3:4:1:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|N<2>,4|C<3>}	109.9760	0.000	1	109.9760	0.000	1	109.9760	0.000	1	110.7025	1.056	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:3:4:	4:1:1:1:	3:4:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){6|C<3>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	110.7025	1.056	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H){1|C<4>,3|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:3:4:	4:3:1:1:	4:3:1:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	112.2515	0.183	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.2515	0.183	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	C(C[6]C[6]O[6]Br)(H)3	C[6](C[6]O[6]BrC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]Br)(H)3	C[6](C[6]O[6]BrC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[5,6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[5,6])(O){1|C<3>,2|C<4>}	112.3590	0.000	1	112.3590	0.000	1	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>}	112.5250	0.000	1	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){2|C<3>}	112.4770	0.000	1	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|Br<1>,1|C<3>,1|C<4>}	111.4570	0.000	1	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	111.9123	0.568	3	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>}	113.9130	0.000	1	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	113.0730	0.713	2	112.4728	0.741	9	112.4614	0.660	10	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:S-1:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	114.7490	0.526	2	115.1615	0.349	4	115.1615	0.349	4	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:S-1:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	115.5740	0.300	2	115.1615	0.349	4	115.1615	0.349	4	113.2476	1.990	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	113.0405	0.388	2	113.0405	0.151	2	113.0405	0.151	2	113.0405	0.151	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(H){1|C<4>,1|O<1>}	112.3050	0.000	1	112.3050	0.000	1	113.1583	0.563	3	113.4980	0.365	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	113.7130	0.000	1	113.7130	0.000	1	113.1583	0.563	3	113.4980	0.365	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	113.4570	0.000	1	113.4570	0.000	1	113.1583	0.563	3	113.4980	0.365	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	113.6010	0.301	3	113.6010	0.090	3	113.7527	0.152	4	113.4980	0.365	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	114.2080	0.000	1	114.2080	0.000	1	113.7527	0.152	4	113.4980	0.365	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O){3|C<3>,3|C<4>}	112.4840	0.396	2	112.4840	0.157	2	112.4840	0.157	2	112.9063	0.613	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:1:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	112.9063	0.613	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	110.4497	1.716	4	110.4048	2.219	5	110.4048	2.219	5	110.3250	1.814	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|H<1>}	110.2250	0.000	1	110.4048	2.219	5	110.4048	2.219	5	110.3250	1.814	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(SC)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	110.3250	1.814	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	112.7810	0.000	1	112.7810	0.000	1	113.7830	2.008	2	113.7830	2.008	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	114.7850	0.000	1	114.7850	0.000	1	113.7830	2.008	2	113.7830	2.008	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:3:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	110.7800	0.269	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O){1|C<4>,1|H<1>,1|O<2>}	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.7800	0.269	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:2:1:1:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:3:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	112.9760	0.000	2	112.9760	0.000	2	112.5865	0.351	4	112.5865	0.351	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:3:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	112.1970	0.668	2	112.1970	0.446	2	112.5865	0.351	4	112.5865	0.351	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:3:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	112.5170	0.608	2	112.5170	0.370	2	112.5170	0.370	2	112.5170	0.370	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:3:2:1:	3:4:1:	C[6]-3:C[6]-2:C-4:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<2>}	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:3:4:1:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	114.5520	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>}	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	115.4400	0.609	3	115.4400	0.371	3	115.4400	0.371	3	115.4400	0.371	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	110.1040	0.000	1	110.1040	0.000	1	110.1040	0.000	1	110.1040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	113.9750	0.000	1	113.9750	0.000	1	112.9140	2.251	2	112.9140	2.251	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:1:1:	4:4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	111.8530	0.000	1	111.8530	0.000	1	112.9140	2.251	2	112.9140	2.251	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:2:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:2:1:	4:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,1|C<4>,1|O<2>}	113.1190	0.000	1	112.0193	0.907	3	112.1702	1.021	10	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	111.4695	0.006	2	112.0193	0.907	3	112.1702	1.021	10	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC){1|C<3>,2|C<4>}	111.2445	0.161	2	111.2445	0.026	2	112.1702	1.021	10	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	112.0117	0.338	3	112.6310	1.126	5	112.1702	1.021	10	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	113.5600	1.184	2	112.6310	1.126	5	112.1702	1.021	10	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<4>}	115.8100	0.000	1	114.0644	1.105	7	114.0644	1.105	7	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	113.7735	0.785	6	114.0644	1.105	7	114.0644	1.105	7	112.9502	1.912	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	111.8830	0.000	1	111.8830	0.000	1	112.8620	1.917	2	112.8620	1.917	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:1:	4:3:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	113.8410	0.000	1	113.8410	0.000	1	112.8620	1.917	2	112.8620	1.917	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:2:	3:4:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|C<3>}	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	113.2310	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:4:	4:2:1:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>}	115.2015	1.220	2	115.2015	1.488	2	115.2015	1.488	2	115.2015	1.488	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:1:	4:4:4:4:	4:2:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	116.0210	0.000	1	116.0210	0.000	1	116.0210	0.000	1	116.0210	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:2:	4:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	114.1390	0.000	1	114.1390	0.000	1	114.1390	0.000	1	114.1390	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:2:	4:4:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:3:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	114.2910	0.000	1	114.2910	0.000	1	113.2005	2.378	2	113.2005	2.378	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:3:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	112.1100	0.000	1	112.1100	0.000	1	113.2005	2.378	2	113.2005	2.378	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:3:	4:1:1:1:	4:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	110.2748	0.967	5	110.2748	0.934	5	110.2748	0.934	5	110.2748	0.934	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:3:	4:4:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	106.7025	2.357	2	106.7025	5.554	2	106.7025	5.554	2	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:Br-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	C(C[6]C[6]O[6]C)(Br)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(Br)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O){1|C<3>,2|C<4>,3|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	110.2289	0.753	14	110.2289	0.568	14	110.2289	0.568	14	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|N<3>,2|C<4>,2|H<1>}	112.0500	0.332	2	112.0500	0.110	2	111.7322	1.379	8	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	112.9760	0.000	2	112.9760	0.000	2	111.7322	1.379	8	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	110.9515	1.127	4	110.9515	1.270	4	111.7322	1.379	8	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O){1|N<3>,3|C<3>}	109.6395	2.358	2	109.6395	5.561	2	109.6395	5.561	2	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.4610	0.355	2	111.4610	0.126	2	111.4610	0.126	2	110.4937	2.676	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:2:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2{1|N<3>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6]){3|C<3>,3|H<1>}	111.0547	3.582	4	111.0547	12.833	4	111.0547	12.833	4	111.3220	9.982	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6])	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	111.3220	9.982	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	111.9765	4.612	2	111.9765	21.275	2	111.9765	21.275	2	112.5770	12.036	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H){1|H<1>,3|C<3>}	113.1775	3.659	2	113.1775	13.390	2	113.1775	13.390	2	112.5770	12.036	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	3:4:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	110.8005	8.016	2	110.8005	64.264	2	110.8005	64.264	2	110.8005	64.264	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC){1|C<3>,2|C<4>}	110.6625	0.363	2	110.6625	0.132	2	109.9748	0.678	4	109.9748	0.678	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	109.2870	0.106	2	109.2870	0.011	2	109.9748	0.678	4	109.9748	0.678	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	109.8745	0.083	2	109.8745	0.007	2	109.8745	0.007	2	109.8745	0.007	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	112.4785	1.331	2	112.4785	1.773	2	112.5033	5.610	12	112.5033	5.610	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	113.0837	2.559	6	113.0837	6.546	6	112.5033	5.610	12	112.5033	5.610	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	112.0570	2.188	2	112.0570	4.786	2	112.5033	5.610	12	112.5033	5.610	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	111.2335	4.096	2	111.2335	16.779	2	112.5033	5.610	12	112.5033	5.610	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:2:1:1:	3:4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6]O[6]C)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6])	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	110.0660	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:4:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H)	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]CC)(H){1|O<2>,2|H<1>,3|C<4>}	115.1190	0.000	2	115.1190	0.000	2	115.1190	0.000	2	113.4333	8.524	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:4:1:1:	3:4:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O){1|C<3>,2|C<4>,3|H<1>}	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	113.4333	8.524	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:4:4:1:	4:2:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	107.2630	0.925	2	107.2630	0.855	2	107.2630	0.855	2	107.2630	0.855	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:4:4:4:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(CH3)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC){1|C<3>,2|C<4>}	112.4020	0.194	2	112.4020	0.038	2	113.0007	0.539	4	113.0007	0.539	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:2:4:4:	4:4:4:4:	4:2:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(CH3)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	113.5995	0.383	2	113.5995	0.146	2	113.0007	0.539	4	113.0007	0.539	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	104.8050	0.000	1	104.8050	0.000	1	104.8050	0.000	1	107.6496	3.074	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	108.0515	0.565	2	108.0515	0.319	2	107.9710	0.179	3	107.6496	3.074	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	107.8100	0.000	1	107.8100	0.000	1	107.9710	0.179	3	107.6496	3.074	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C(C[6]C[6a]C[6]S[6])(H)3	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]S[6])(H)3	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H){1|H<1>,5|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	107.6496	3.074	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:4:1:1:	4:3:3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|C<3>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:2:4:	4:4:4:2:	4:3:2:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C-4:C-4:C-2:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6]){3|H<1>,5|C<3>}	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:N-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	108.4537	8.758	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:N-3:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	C(C[6]C[6]2N)(H)3	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	C(C[6]C[6]2N)(H)3	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	103.8090	0.000	1	103.8090	0.000	1	103.8090	0.000	1	108.4537	8.758	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]N[6]C)(H){1|Fe<5>,1|N<2>,1|N<3>,4|C<3>}	107.6500	2.036	2	107.6500	4.147	2	107.6500	4.147	2	108.4537	8.758	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){1|H<1>,6|C<3>}	110.8155	0.770	4	110.8155	0.593	4	110.8155	0.593	4	108.4537	8.758	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:O-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al){1|H<1>,4|C<3>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C(C[6]C[5a]C[6]N[6])(F)3	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C(C[6]C[5a]C[6]N[6])(F)3	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	110.1463	2.216	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|S<1>,1|S<2>,3|C<3>}	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	110.1463	2.216	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-2:S-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	110.1463	2.216	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	104.3390	0.116	2	104.3390	0.013	2	104.3390	0.013	2	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6,6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	108.2610	0.000	1	108.2610	0.000	1	106.7140	2.624	3	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	105.0300	0.000	1	105.9405	1.658	2	106.7140	2.624	3	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6])(H){6|C<3>}	106.8510	0.000	1	105.9405	1.658	2	106.7140	2.624	3	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	110.0920	0.000	1	110.0920	0.000	1	109.9050	0.070	2	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	109.7180	0.000	1	109.7180	0.000	1	109.9050	0.070	2	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	108.1600	0.000	1	108.1600	0.000	1	108.2341	0.952	11	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	108.2292	0.886	6	108.2415	1.057	10	108.2341	0.952	11	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	108.2600	1.364	4	108.2415	1.057	10	108.2341	0.952	11	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	99.9714	0.000	1	99.9714	0.000	1	102.7327	15.250	2	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	105.4940	0.000	1	105.4940	0.000	1	102.7327	15.250	2	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	111.8410	0.364	4	111.8410	0.133	4	111.8410	0.133	4	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	108.0047	0.837	3	108.0047	0.700	3	108.0047	0.700	3	107.9431	6.914	29	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[5a,6]C[6a]C[6])(H)3	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.5250	0.111	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.5250	0.111	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	111.9025	0.800	2	111.9025	0.640	2	111.9025	0.640	2	109.3750	8.971	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	106.8475	0.849	2	106.8475	0.721	2	106.8475	0.721	2	109.3750	8.971	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	106.0000	0.000	1	106.0000	0.000	1	109.9180	11.522	3	109.9180	11.522	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	111.8770	0.133	2	111.8770	0.018	2	109.9180	11.522	3	109.9180	11.522	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]O)2(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	107.8710	6.552	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6]-4:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	107.8710	6.552	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6])(O){1|N<3>,2|C<4>,2|O<1>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	108.0515	0.406	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:2:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|N<2>,1|S<2>,3|C<3>}	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	108.0515	0.406	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:2:2:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S[6]-2:N-2:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	107.3260	0.000	1	107.2051	0.260	7	107.2051	0.260	7	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2N[6])(CH3)(H)2	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	107.1850	0.555	6	107.2051	0.260	7	107.2051	0.260	7	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	111.4825	1.207	2	111.4825	1.457	2	111.4825	1.457	2	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	107.8770	0.000	1	106.9835	1.597	2	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	106.0900	0.000	1	106.9835	1.597	2	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	110.8210	0.000	1	110.2875	0.569	2	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	109.7540	0.000	1	110.2875	0.569	2	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	109.0000	0.000	1	108.2566	1.578	22	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	111.0860	0.000	1	108.2566	1.578	22	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	108.0780	1.123	20	108.2566	1.578	22	108.3149	1.869	26	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	108.4540	0.000	1	110.6185	9.370	2	110.6690	4.578	4	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	112.7830	0.000	1	110.6185	9.370	2	110.6690	4.578	4	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	112.1950	0.000	1	112.1950	0.000	1	110.6690	4.578	4	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	109.2440	0.000	1	109.2440	0.000	1	110.6690	4.578	4	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	106.6950	5.720	2	106.6950	32.724	2	106.6950	32.724	2	108.4437	3.708	42	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:2:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	112.6290	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	112.1920	0.256	2	112.1920	0.066	2	113.1852	1.795	4	113.1852	1.795	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	114.1785	1.172	2	114.1785	1.373	2	113.1852	1.795	4	113.1852	1.795	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5a]HH)(H)	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5a]HH)(H){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.2285	0.856	2	113.2285	0.733	2	113.2285	0.733	2	113.1146	0.682	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.0861	0.876	8	113.0861	0.767	8	113.0861	0.767	8	113.1146	0.682	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.1940	0.000	2	112.1940	0.000	2	111.4598	1.762	6	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	112.1965	0.684	2	112.1965	0.468	2	111.4598	1.762	6	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	109.9890	1.360	2	109.9890	1.851	2	111.4598	1.762	6	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	110.6450	0.000	2	110.6450	0.000	2	110.4982	0.508	4	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	110.3515	1.199	2	110.3515	1.437	2	110.4982	0.508	4	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	109.4170	0.000	1	109.4170	0.000	1	109.9573	1.769	9	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	111.3090	0.436	3	111.3090	0.190	3	109.9573	1.769	9	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	109.5000	1.442	3	109.5155	1.388	4	109.9573	1.769	9	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	109.5620	0.000	1	109.5155	1.388	4	109.9573	1.769	9	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	108.2100	0.000	1	108.2100	0.000	1	109.9573	1.769	9	110.4364	1.955	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:1:1:	4:4:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	110.4270	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:2:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	111.2025	1.784	2	111.2025	3.183	2	111.2025	3.183	2	110.5853	2.734	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:2:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	110.5853	2.734	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:2:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	111.6045	1.538	2	111.6045	2.365	2	111.6045	2.365	2	111.1653	1.761	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	111.1653	1.761	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	112.5957	3.429	8	112.5957	11.756	8	112.2101	10.661	10	112.2101	10.661	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	110.6675	2.775	2	110.6675	7.703	2	112.2101	10.661	10	112.2101	10.661	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	110.8120	2.350	4	110.8120	5.521	4	110.8120	5.521	4	110.8120	5.521	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:4:4:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	116.4425	0.534	2	116.4425	0.285	2	115.0552	1.914	18	115.0552	1.914	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	3:4:4:4:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	114.8817	1.365	16	114.8817	1.862	16	115.0552	1.914	18	115.0552	1.914	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	2:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){3|C<3>}	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	109.9310	0.000	1	110.5560	0.986	3	110.5560	0.986	3	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	110.8685	1.177	2	110.5560	0.986	3	110.5560	0.986	3	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	110.5930	0.253	2	110.5930	0.064	2	110.8653	0.255	3	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	111.4100	0.000	1	111.4100	0.000	1	110.8653	0.255	3	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	109.0440	0.000	1	111.2768	1.615	6	111.2768	1.615	6	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	112.7210	0.000	1	111.2768	1.615	6	111.2768	1.615	6	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	111.4675	0.663	2	111.2768	1.615	6	111.2768	1.615	6	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	111.4805	0.641	2	111.2768	1.615	6	111.2768	1.615	6	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.1557	1.280	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	111.0276	1.916	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	111.0276	1.916	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO){1|C<4>,2|C<3>}	109.8235	0.344	2	109.8235	0.119	2	110.0493	0.212	3	111.0276	1.916	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO){1|S<4>,2|C<3>}	110.5010	0.000	1	110.5010	0.000	1	110.0493	0.212	3	111.0276	1.916	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	107.9820	0.324	2	107.9820	0.105	2	109.1000	3.802	3	109.6184	5.597	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	111.3360	0.000	1	111.3360	0.000	1	109.1000	3.802	3	109.6184	5.597	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	106.6395	0.267	2	106.6395	0.071	2	106.6395	0.071	2	109.6184	5.597	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	112.0087	0.802	3	112.0087	0.643	3	112.0087	0.643	3	109.6184	5.597	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C(C[6]C[6]N[6]H)(H)2(I)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)2(I)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.6184	5.597	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O){1|O<1>,2|C<3>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	111.1250	0.000	1	110.1860	1.763	2	110.8310	2.130	3	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O){2|C<4>,2|H<1>}	109.2470	0.000	1	110.1860	1.763	2	110.8310	2.130	3	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	112.1210	0.000	1	112.1210	0.000	1	110.8310	2.130	3	111.9523	14.396	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	111.0880	0.932	2	111.0880	0.869	2	111.0880	0.869	2	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	110.5100	0.000	1	110.5100	0.000	1	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.4570	0.000	2	111.4570	0.000	2	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.7455	1.464	2	126.8157	205.088	4	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	133.8860	20.326	2	126.8157	205.088	4	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	119.9500	2.633	8	119.9500	6.933	8	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	112.3600	0.000	1	112.3600	0.000	1	119.5404	76.043	16	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	110.8530	0.000	2	110.8530	0.000	2	110.8530	0.000	2	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	107.7940	0.574	3	107.7940	0.329	3	107.7940	0.329	3	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	108.0010	0.182	2	108.0010	0.033	2	110.1777	4.058	6	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.6880	0.000	1	111.6880	0.000	1	110.1777	4.058	6	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|S<3>,2|H<1>}	111.5810	0.000	1	111.5810	0.000	1	110.1777	4.058	6	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	109.2400	0.000	1	110.8975	5.495	2	110.1777	4.058	6	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|S<3>,1|S<4>,2|H<1>}	112.5550	0.000	1	110.8975	5.495	2	110.1777	4.058	6	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	111.2120	0.000	1	110.5095	0.987	2	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	109.8070	0.000	1	110.5095	0.987	2	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	111.4750	0.000	1	111.4750	0.000	1	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	111.2953	0.988	3	110.8145	1.576	4	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	109.3720	0.000	1	110.8145	1.576	4	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	111.9410	0.000	1	111.9410	0.000	1	110.9616	1.062	8	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H){1|C<4>,2|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	114.0890	51.560	40	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN){1|C<3>,1|H<1>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	110.6550	0.502	4	110.6550	0.252	4	110.6550	0.252	4	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	123.1870	0.000	1	123.1870	0.000	1	123.1870	0.000	1	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	111.9960	0.000	1	111.9960	0.000	1	112.9296	0.566	5	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	112.6530	0.126	2	112.9117	0.209	3	112.9296	0.566	5	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	113.4290	0.000	1	112.9117	0.209	3	112.9296	0.566	5	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	113.9170	0.000	1	113.9170	0.000	1	112.9296	0.566	5	113.0455	14.311	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C[6](C[6]C[6]C)2(CH3)(H){1|B<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	109.5110	1.383	2	109.5110	1.913	2	110.1517	2.188	3	111.1467	5.419	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	111.4330	0.000	1	111.4330	0.000	1	110.1517	2.188	3	111.1467	5.419	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.1320	0.000	1	114.1320	0.000	1	114.1320	0.000	1	111.1467	5.419	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.9680	0.000	1	114.9680	0.000	1	114.5565	0.339	2	112.4804	3.728	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.1450	0.000	1	114.1450	0.000	1	114.5565	0.339	2	112.4804	3.728	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	111.3990	0.000	1	111.3990	0.000	1	111.0790	0.205	2	112.4804	3.728	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	110.7590	0.000	1	110.7590	0.000	1	111.0790	0.205	2	112.4804	3.728	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn){1|C<3>,3|H<1>,4|C<4>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	112.4804	3.728	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	110.2080	0.000	1	110.2080	0.000	1	110.7855	0.667	2	110.7855	0.667	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.3630	0.000	1	111.3630	0.000	1	110.7855	0.667	2	110.7855	0.667	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	3:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	110.0770	0.000	1	110.0770	0.000	1	109.7517	0.085	3	109.7694	0.056	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	109.6630	0.000	1	109.5890	0.011	2	109.7517	0.085	3	109.7694	0.056	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	109.5150	0.000	1	109.5890	0.011	2	109.7517	0.085	3	109.7694	0.056	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:3:1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.7694	0.056	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H)	C(C[6]C[6]N[6]H)(SMo)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(SMo)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.7694	0.056	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O){3|C<3>}	109.4190	0.057	3	109.4190	0.003	3	109.6422	0.201	4	109.6422	0.201	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	110.3120	0.000	1	110.3120	0.000	1	109.6422	0.201	4	109.6422	0.201	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:2:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-2:C-2:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CN)2(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CN)2(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:2:2:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CHOO)(H)	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	111.5345	1.271	2	111.5345	1.615	2	111.5345	1.615	2	111.5345	1.615	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H){4|C<3>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:Cl-1:Cl-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COS)(Cl)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,3|C<4>}	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[3,6]-3:C[6]-4:O-1:	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){2|C<4>,3|H<1>}	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.9020	0.000	1	109.9020	0.000	1	109.8156	2.747	14	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	109.2342	0.918	6	109.4752	1.930	9	109.8156	2.747	14	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	109.9573	2.256	3	109.4752	1.930	9	109.8156	2.747	14	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	111.1567	2.524	3	110.5600	5.671	4	109.8156	2.747	14	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.7700	0.000	1	110.5600	5.671	4	109.8156	2.747	14	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	109.1087	1.226	6	109.1279	0.825	13	109.1000	1.005	25	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	109.1444	0.631	7	109.1279	0.825	13	109.1000	1.005	25	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	109.0697	1.136	12	109.0697	1.291	12	109.1000	1.005	25	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	111.3557	0.514	3	111.3557	0.264	3	111.3557	0.264	3	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	109.8825	2.801	2	109.8825	7.845	2	109.8825	7.845	2	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H)	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[5]N[5]O[5])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	109.2185	0.197	2	109.2185	0.039	2	109.2185	0.039	2	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[3,6]-3:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	112.2755	1.603	4	112.2755	2.571	4	112.2755	2.571	4	109.8822	2.802	58	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	112.3872	2.358	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.0100	1.482	4	112.0100	2.196	4	112.0100	2.196	4	112.3872	2.358	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	112.5240	0.768	3	112.5240	0.589	3	112.5240	0.589	3	112.5240	0.589	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>}	110.6060	0.000	1	110.6060	0.000	1	109.6683	1.116	3	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	109.1995	0.955	2	109.1995	0.913	2	109.6683	1.116	3	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.1755	0.254	2	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	111.8190	0.000	1	111.8190	0.000	1	112.1755	0.254	2	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	109.5760	0.000	1	111.3907	2.901	3	110.8110	2.082	5	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|H<1>}	112.2980	0.929	2	111.3907	2.901	3	110.8110	2.082	5	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]N[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]N[6])(O){1|C<3>,1|C<4>,1|H<1>}	109.9415	0.071	2	109.9415	0.005	2	110.8110	2.082	5	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|N<2>,2|C<3>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:1:	S[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H)	C(C[6]C[6]S[6]H)(SCuC)(H)2	C[6](C[6]S[6]CH)(O[6]C[6])(H)	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H){1|H<1>,2|C<4>}	C(C[6]C[6]S[6]H)(SCuC)(H)2	C[6](C[6]S[6]CH)(O[6]C[6])(H){1|Cu<5>,1|C<4>,2|H<1>}	114.9900	0.000	1	114.9900	0.000	1	114.9900	0.000	1	111.0368	3.008	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,1|N<2>}	112.0200	0.000	1	111.5047	0.236	3	111.5047	0.236	3	111.5047	0.236	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:2:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|N<2>,2|C<3>}	111.2470	0.270	2	111.5047	0.236	3	111.5047	0.236	3	111.5047	0.236	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H){4|C<3>}	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	109.9210	0.000	1	109.9210	0.000	1	110.6275	0.998	2	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	111.3340	0.000	1	111.3340	0.000	1	110.6275	0.998	2	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(Cl)	C(C[6]C[6]2Cl)(CC[5]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(Cl){1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(CC[5]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4783	0.302	4	110.4783	0.091	4	110.4783	0.091	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	112.3530	0.000	1	112.3530	0.000	1	110.2343	5.638	3	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	109.1750	2.131	2	109.1750	4.542	2	110.2343	5.638	3	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	109.1415	1.350	2	109.1415	1.822	2	110.0715	1.900	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	111.4580	0.000	1	111.4580	0.000	1	110.0715	1.900	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	110.5450	0.000	1	110.5450	0.000	1	110.0715	1.900	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	109.9620	0.646	2	109.9620	0.418	2	109.9620	0.418	2	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	111.3020	0.148	4	111.3350	0.022	5	111.3350	0.022	5	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	111.4670	0.000	1	111.3350	0.022	5	111.3350	0.022	5	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	109.5490	0.000	1	109.7121	1.881	14	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	109.6083	1.563	9	109.7121	1.881	14	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	110.5340	0.000	1	109.7121	1.881	14	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	109.8037	1.428	3	109.7121	1.881	14	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	106.2630	0.000	1	109.3272	4.578	4	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	110.3487	0.779	3	109.3272	4.578	4	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	109.7860	0.000	1	109.7860	0.000	1	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	110.2675	0.226	2	110.2675	0.051	2	109.6952	1.972	21	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	109.4540	0.000	1	109.4540	0.000	1	111.3593	1.729	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	111.9640	0.584	2	111.9943	0.173	3	111.3593	1.729	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	112.0550	0.000	1	111.9943	0.173	3	111.3593	1.729	4	110.1939	2.106	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	112.8580	0.737	2	112.8580	0.543	2	112.8580	0.543	2	111.6207	4.864	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	111.6207	4.864	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	112.3910	0.000	1	112.3910	0.000	1	111.1478	2.671	4	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	112.5620	0.000	1	112.5620	0.000	1	111.1478	2.671	4	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO){2|C<3>}	109.1350	0.000	1	109.1350	0.000	1	111.1478	2.671	4	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CHO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	110.5030	0.000	1	110.5030	0.000	1	111.1478	2.671	4	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	113.5735	0.828	2	113.5735	0.686	2	113.5735	0.686	2	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	110.6820	0.000	1	110.6820	0.000	1	110.5390	0.041	2	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>}	110.3960	0.000	1	110.3960	0.000	1	110.5390	0.041	2	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CHN)(H)2	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[6]N[5,6]C[6]H)(CHN)(H)2	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	114.1580	0.286	2	114.1580	0.082	2	114.1580	0.082	2	112.2837	3.333	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]2H)(CC[6a]O)(F)2	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.4035	0.574	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	110.4035	0.574	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.6240	0.143	2	112.6240	0.020	2	112.6240	0.020	2	112.6240	0.020	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	112.7210	0.000	1	112.7210	0.000	1	112.7910	0.010	2	112.7910	0.010	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	112.8610	0.000	1	112.8610	0.000	1	112.7910	0.010	2	112.7910	0.010	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:2:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	110.3020	4.292	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:2:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:S-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	110.3020	4.292	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H){4|C<3>}	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	111.5547	2.595	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	111.5547	2.595	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	110.6255	1.370	2	110.6255	1.876	2	110.6255	1.876	2	111.5547	2.595	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	110.5842	0.459	4	110.5842	0.211	4	110.5842	0.211	4	110.5842	0.211	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	109.6405	0.029	2	109.6405	0.001	2	109.6405	0.001	2	109.6405	0.001	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	112.5090	0.522	2	112.5090	0.272	2	112.5090	0.272	2	112.5090	0.272	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:Br-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.6770	0.000	1	112.6770	0.000	1	112.6770	0.000	1	110.1107	11.692	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl){3|C<3>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	108.8275	3.675	2	108.8275	13.504	2	108.8275	13.504	2	110.1107	11.692	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:Br-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O){1|O<1>,2|C<3>}	115.3170	0.000	1	115.3170	0.000	1	115.3170	0.000	1	115.3170	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	112.8110	0.000	1	112.8110	0.000	1	112.4220	0.303	2	109.9502	7.544	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	112.0330	0.000	1	112.0330	0.000	1	112.4220	0.303	2	109.9502	7.544	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	108.3023	2.180	3	108.3023	4.753	3	108.3023	4.753	3	109.9502	7.544	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[4]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){2|C<3>,2|C<4>}	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	109.1570	0.000	1	109.1570	0.000	1	108.8095	0.242	2	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.8095	0.242	2	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	111.8612	14.570	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	113.4897	27.538	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-3:C[6]-4:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al){1|H<1>,5|C<3>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	113.4897	27.538	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	113.4897	27.538	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	107.8050	0.837	2	107.8050	0.701	2	107.8050	0.701	2	109.3768	4.413	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	107.7130	0.291	2	107.7130	0.085	2	107.7130	0.085	2	109.3768	4.413	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	110.3923	1.551	3	110.9945	3.054	4	110.9945	3.054	4	109.3768	4.413	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	112.8010	0.000	1	110.9945	3.054	4	110.9945	3.054	4	109.3768	4.413	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	112.0613	2.320	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl)	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C[6](C[6]C[6]ClC)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl){1|H<1>,2|C<4>}	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C[6](C[6]C[6]ClC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	112.0613	2.320	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|H<1>,3|C<4>}	111.5540	0.000	1	111.5540	0.000	1	111.6260	0.010	2	112.0613	2.320	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHS)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHS)(H)2	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	111.6980	0.000	1	111.6980	0.000	1	111.6260	0.010	2	112.0613	2.320	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	108.5070	1.168	3	108.5070	1.364	3	108.9515	1.700	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	110.2850	0.000	1	110.2850	0.000	1	108.9515	1.700	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	117.3800	0.000	1	117.3800	0.000	1	118.5842	22.856	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.0240	0.000	1	122.0240	0.000	1	118.5842	22.856	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	112.3290	0.000	1	112.3290	0.000	1	118.5842	22.856	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	122.6040	0.000	1	122.6040	0.000	1	118.5842	22.856	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	111.6840	0.000	1	111.6840	0.000	1	111.6962	2.069	5	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	110.3150	0.588	2	110.3150	0.346	2	111.6962	2.069	5	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	112.7190	0.000	1	112.7190	0.000	1	111.6962	2.069	5	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C(C[6]C[6]N[6]H)(CCHN)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	113.4480	0.000	1	113.4480	0.000	1	111.6962	2.069	5	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	109.1420	0.000	1	109.1420	0.000	1	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	110.9150	0.000	1	110.9150	0.000	1	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	109.3245	0.127	2	109.3245	0.016	2	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	109.4950	0.177	2	109.4950	0.031	2	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	111.6788	0.854	4	111.6788	0.730	4	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	110.9470	0.000	1	110.9470	0.000	1	110.4871	1.479	11	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H){1|Si<4>,2|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.1555	1.136	2	116.1555	1.291	2	115.1270	3.819	3	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,2|N<3>}	113.0700	0.000	1	113.0700	0.000	1	115.1270	3.819	3	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	110.3470	0.174	2	110.4032	0.355	4	110.4032	0.355	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	109.7450	0.000	1	110.4032	0.355	4	110.4032	0.355	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	111.1740	0.000	1	110.4032	0.355	4	110.4032	0.355	4	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	107.3500	0.000	1	107.3500	0.000	1	108.1390	1.245	2	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	108.9280	0.000	1	108.9280	0.000	1	108.1390	1.245	2	111.6129	11.976	36	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	108.8420	0.000	2	108.8420	0.000	2	108.8420	0.000	2	109.7840	2.662	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	109.7840	2.662	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	112.7860	0.000	1	112.7860	0.000	1	110.0628	5.757	5	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	108.0515	1.504	2	108.0515	2.262	2	110.0628	5.757	5	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)2(CCHH)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	110.7125	2.101	2	110.7125	4.413	2	110.0628	5.757	5	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	110.9401	5.205	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	112.9680	1.174	2	112.9680	1.378	2	112.9680	1.378	2	112.9680	1.378	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl)	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl){1|H<1>,2|C<4>}	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	113.2995	2.475	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O){1|C<3>,2|H<1>}	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	113.2995	2.475	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	118.6720	66.932	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	118.6720	66.932	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:2:1:	4:3:2:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|O<2>,2|H<1>}	113.0965	0.066	2	113.0965	0.004	2	113.0965	0.004	2	113.0965	0.004	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO){2|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:2:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C[6](C[6]C[6]MoH)(C[6]N[6]CH)(O)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C[6](C[6]C[6]MoH)(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:2:2:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:O-2:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:3:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	107.6880	0.706	3	107.6880	0.498	3	107.6880	0.498	3	110.6646	11.689	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6]CH)(H)	C(C[6]C[6]2H)2(CCO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6]CH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)2(CCO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	112.8970	2.746	4	112.8970	7.541	4	112.8970	7.541	4	110.6646	11.689	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:3:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6]-4:C-4:C-3:N-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	113.5250	0.000	1	113.5250	0.000	1	113.5250	0.000	1	113.3062	0.122	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	113.5310	0.262	2	113.5310	0.068	2	113.5310	0.068	2	113.3062	0.122	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	112.9720	0.218	2	112.9720	0.047	2	112.9720	0.047	2	113.3062	0.122	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH){2|H<1>,3|C<3>}	111.6517	0.214	3	111.6517	0.046	3	111.6517	0.046	3	111.6517	0.046	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCCH)(H){1|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.4070	2.357	2	113.4070	5.558	2	113.4070	5.558	2	113.1683	2.950	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:2:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	113.1683	2.950	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|H<1>,2|C<4>}	111.7000	0.000	1	112.7235	2.095	2	112.7235	2.095	2	112.3357	1.499	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,3|C<4>}	113.7470	0.000	1	112.7235	2.095	2	112.7235	2.095	2	112.3357	1.499	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:2:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:N-2:	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(NO)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(NO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	112.3357	1.499	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	113.5970	0.000	1	113.5970	0.000	1	112.6650	0.709	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]B[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]B[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	113.8480	0.000	1	113.8480	0.000	1	112.6650	0.709	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	112.1000	0.000	1	112.1000	0.000	1	112.6650	0.709	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	112.2775	0.597	4	112.2775	0.356	4	112.6650	0.709	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	108.2770	0.000	1	110.7883	6.693	3	110.4849	4.067	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	113.4450	0.000	1	110.7883	6.693	3	110.4849	4.067	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.6430	0.000	1	110.7883	6.693	3	110.4849	4.067	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	110.2115	0.194	2	110.2115	0.038	2	110.4849	4.067	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3030	3.239	2	110.3030	10.488	2	110.4849	4.067	7	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	111.6538	3.071	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:1:	4:4:2:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	112.7960	0.223	2	113.2440	0.374	4	113.2440	0.374	4	113.2440	0.374	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	113.6920	0.519	2	113.2440	0.374	4	113.2440	0.374	4	113.2440	0.374	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	3:4:3:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])2(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])2(CC3)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	113.9340	0.006	2	113.9340	0.000	2	113.9340	0.000	2	113.9340	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C(C[6]C[6]2Cl)(CH3)3	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	C(C[6]C[6]2Cl)(CH3)3	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	111.8960	0.000	1	111.8960	0.000	1	113.3233	3.088	3	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(H){1|Ge<2>,2|C<3>}	112.7880	0.000	1	112.7880	0.000	1	113.3233	3.088	3	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:3:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	115.2860	0.000	1	115.2860	0.000	1	113.3233	3.088	3	112.7743	2.804	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:4:1:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C(C[6]C[6]2Cl)(CH3)3	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	C(C[6]C[6]2Cl)(CH3)3	C[6](C[6]C[6]Cl2)(C[6]C[6]ClC)(O){1|Cl<1>,1|C<3>,2|H<1>}	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	112.9680	0.011	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:1:	4:4:4:4:	4:4:1:	C[6]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	112.8940	0.000	1	112.8940	0.000	1	112.8940	0.000	1	112.9680	0.011	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:S-2:	C[5a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O){1|C<3>,2|H<1>,4|C<4>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	107.9100	0.000	1	107.9100	0.000	1	108.6610	1.128	2	108.6610	1.128	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	109.4120	0.000	1	109.4120	0.000	1	108.6610	1.128	2	108.6610	1.128	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:2:1:	4:3:1:	C[6]-3:N[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:S-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:2:1:	4:3:2:	C[6]-3:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	109.1150	3.106	2	109.1150	9.645	2	109.1150	9.645	2	109.1150	9.645	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:S-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>}	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	3:4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:S-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.4916	0.890	8	107.3554	0.859	9	107.3554	0.859	9	108.1349	1.326	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	106.2660	0.000	1	107.3554	0.859	9	107.3554	0.859	9	108.1349	1.326	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	109.4754	0.348	8	109.4754	0.121	8	109.4754	0.121	8	108.1349	1.326	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|O<1>}	107.5946	0.640	8	107.7229	0.506	9	107.7229	0.506	9	108.1349	1.326	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)(OC){1|Cl<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	108.7490	0.000	1	107.7229	0.506	9	107.7229	0.506	9	108.1349	1.326	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	106.5020	0.000	1	106.1483	0.096	3	106.1483	0.096	3	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	105.9715	0.067	2	106.1483	0.096	3	106.1483	0.096	3	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	109.5870	0.239	2	108.9707	1.168	3	108.8241	0.559	9	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	107.7380	0.000	1	108.9707	1.168	3	108.8241	0.559	9	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	107.6540	0.000	1	108.5736	0.274	5	108.8241	0.559	9	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	108.8035	0.111	4	108.5736	0.274	5	108.8241	0.559	9	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	109.6370	0.000	1	109.6370	0.000	1	108.8241	0.559	9	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	104.6355	0.250	2	104.6355	0.062	2	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	106.5385	0.334	2	106.5385	0.112	2	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O){1|C<3>,1|H<1>,1|O<2>}	106.4470	0.000	1	106.4470	0.000	1	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>}	105.4307	0.657	3	105.4307	0.431	3	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	107.9917	0.592	3	107.9917	0.350	3	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	106.7580	0.000	1	107.3490	0.265	3	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	107.6445	0.073	2	107.3490	0.265	3	106.5078	1.653	14	107.2681	2.392	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	107.0663	0.378	3	107.0663	0.143	3	107.0663	0.143	3	107.9907	3.513	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO){1|C<4>,2|C<3>}	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	107.9907	3.513	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	107.8935	0.288	2	107.8935	0.083	2	107.8935	0.083	2	107.8935	0.083	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	111.0880	1.337	3	111.0880	1.787	3	111.6902	0.651	10	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.0598	0.355	5	111.9483	0.122	7	111.6902	0.651	10	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	111.6695	0.111	2	111.9483	0.122	7	111.6902	0.651	10	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	110.9263	0.885	3	110.9263	0.784	3	110.2874	1.187	5	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	109.3290	0.344	2	109.3290	0.118	2	110.2874	1.187	5	110.9853	2.046	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	113.3560	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.8160	0.000	1	104.8160	0.000	1	104.8160	0.000	1	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	108.8650	1.216	2	108.8650	1.479	2	108.8650	1.479	2	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,4|C<3>}	110.0670	1.034	2	110.0670	1.069	2	110.0670	1.069	2	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CCHH)(OC)	C(C[6]C[6]2O)(CC[5]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]H)2(CCHH)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CC[5]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,2|C<3>}	108.8047	0.677	4	108.8047	0.458	4	108.8047	0.458	4	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O){1|O<2>,4|C<3>}	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O){1|C<3>,2|C<4>,4|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	109.0018	4.922	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO){1|O<1>,2|C<3>}	112.6985	7.117	2	112.6985	50.652	2	112.6985	50.652	2	112.6747	25.328	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.6747	25.328	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]O[5a])(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	106.3880	0.000	1	106.3880	0.000	1	105.5280	1.479	2	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]C[5a]S[5a])(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	104.6680	0.000	1	104.6680	0.000	1	105.5280	1.479	2	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	105.2850	1.342	2	105.2850	1.801	2	105.2850	1.801	2	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C(C[6]C[6]2O)(CCO)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHS)(OC)	C(C[6]C[6]2O)(SC[6a]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(SC[6a]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	110.2960	0.156	4	110.2960	0.024	4	110.2960	0.024	4	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	108.5150	2.473	3	108.5150	6.114	3	108.5150	6.114	3	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	109.7885	0.906	2	109.7885	0.820	2	109.7885	0.820	2	108.3376	5.437	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O){2|C<4>,3|C<3>}	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:2:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-3:N-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(COO)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:3:2:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	107.6250	0.824	2	107.6250	0.680	2	107.6250	0.680	2	107.6250	0.680	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	106.5035	6.901	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CH3)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	106.5035	6.901	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O){2|C<3>,2|H<1>}	108.1840	0.000	1	108.1840	0.000	1	108.2043	2.522	4	108.2043	2.522	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C[6](C[6]C[6,6a]CO)(O[6]C[6])(O){2|C<3>,2|H<1>}	108.2110	1.945	3	108.2110	3.782	3	108.2043	2.522	4	108.2043	2.522	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	105.4190	0.000	1	105.4190	0.000	1	105.3745	0.004	2	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	105.3300	0.000	1	105.3300	0.000	1	105.3745	0.004	2	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(OO)	C(C[6]C[6]2O)(CCHN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(OO){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCHN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	111.5275	1.039	2	111.5275	1.079	2	111.5275	1.079	2	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(OH)	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	106.6645	2.082	2	106.6645	4.337	2	106.6645	4.337	2	108.3461	7.865	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:4:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){5|C<3>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:2:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C(C[6]C[6]N[6]S)(CH3)2(H)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(CH3)2(H)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	108.0305	0.660	6	108.0305	0.436	6	108.0305	0.436	6	108.0305	0.436	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	111.5159	0.581	7	111.5159	0.338	7	111.5159	0.338	7	111.1016	1.663	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	111.1016	1.663	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(H)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	111.1205	0.107	2	111.1205	0.011	2	111.1205	0.011	2	111.1205	0.011	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H){2|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	107.4784	4.762	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	109.1730	0.427	2	109.1730	0.182	2	109.1730	0.182	2	107.4784	4.762	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	104.1785	0.336	2	104.1785	0.113	2	104.1785	0.113	2	107.4784	4.762	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	108.9805	0.568	2	108.9805	0.322	2	108.9805	0.322	2	107.4784	4.762	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.4784	4.762	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	107.1496	4.213	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	105.3645	0.180	2	105.3645	0.033	2	105.3645	0.033	2	107.1496	4.213	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(NCC)	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	108.0205	0.462	2	108.0205	0.213	2	108.1268	4.979	4	107.1496	4.213	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(NCH)	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	108.2330	3.831	2	108.2330	14.677	2	108.1268	4.979	4	107.1496	4.213	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:2:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	111.3387	0.897	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	111.0160	0.000	1	111.7105	0.965	2	111.7105	0.965	2	111.3387	0.897	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	112.4050	0.000	1	111.7105	0.965	2	111.7105	0.965	2	111.3387	0.897	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|O<1>}	112.0810	0.000	1	112.0810	0.000	1	112.0810	0.000	1	112.0810	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	109.1670	1.985	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|O<1>}	107.6700	0.000	1	108.5170	1.435	2	108.5170	1.435	2	109.1670	1.985	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	109.3640	0.000	1	108.5170	1.435	2	108.5170	1.435	2	109.1670	1.985	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	C(C[6]C[6]2N)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	C(C[6]C[6]2N)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.6135	1.503	2	107.6135	2.258	2	107.6135	2.258	2	107.7608	1.110	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:3:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	C(C[6]C[6]2N)(CH3)2(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	C(C[6]C[6]2N)(CH3)2(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){1|O<1>,2|C<3>}	107.9080	0.993	2	107.9080	0.986	2	107.9080	0.986	2	107.7608	1.110	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3){1|S<3>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	108.7103	0.612	8	108.7103	0.375	8	108.7103	0.375	8	108.4982	0.667	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	107.9470	1.188	2	107.9470	1.411	2	107.9470	1.411	2	108.4982	0.667	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[5a,6]O)(C[6]N[6]O)(CC[6a]HH)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	108.2015	1.471	2	108.2015	2.165	2	108.2015	2.165	2	108.4982	0.667	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,1|O<1>,1|S<2>}	106.4945	0.400	2	106.4945	0.160	2	106.4945	0.160	2	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	108.3700	1.369	4	108.3700	1.873	4	108.2505	2.625	16	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN){1|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.6740	2.068	2	109.6740	4.275	2	108.2505	2.625	16	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	107.3190	0.279	4	107.3190	0.078	4	108.2505	2.625	16	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN){1|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	107.3135	2.874	2	107.3135	8.262	2	108.2505	2.625	16	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)2{1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	108.8192	1.858	4	108.8192	3.453	4	108.2505	2.625	16	108.0554	2.648	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	106.2335	0.117	2	106.9243	0.730	4	108.1227	1.344	16	107.9886	1.371	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	107.6150	0.516	2	106.9243	0.730	4	108.1227	1.344	16	107.9886	1.371	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.5222	0.968	12	108.5222	0.938	12	108.1227	1.344	16	107.9886	1.371	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	106.9160	0.747	2	106.9160	0.558	2	106.9160	0.558	2	107.9886	1.371	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	110.9030	3.957	2	110.9030	15.658	2	110.9030	15.658	2	110.9030	15.658	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[5a]HH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	107.0235	2.163	2	107.0235	4.679	2	107.0235	4.679	2	108.3567	5.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.8645	0.903	2	110.8645	0.815	2	109.0233	6.000	4	108.3567	5.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	107.1820	1.904	2	107.1820	3.623	2	109.0233	6.000	4	108.3567	5.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	3:4:2:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	109.0645	0.582	2	109.0645	0.339	2	109.0645	0.339	2	109.0645	0.339	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H)	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H){1|C<4>,1|N<2>,3|C<3>}	110.0015	0.945	2	110.0015	0.894	2	110.0015	0.894	2	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2{2|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H){5|C<3>}	107.8000	1.062	2	107.8000	1.128	2	107.8000	1.128	2	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	105.1930	0.424	2	104.5568	0.328	6	105.1898	1.968	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	104.2388	0.287	4	104.5568	0.328	6	105.1898	1.968	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	106.5625	1.768	2	106.5625	3.128	2	105.1898	1.968	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	107.4790	0.000	1	107.4790	0.000	1	105.1898	1.968	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	103.9530	0.000	1	103.9530	0.000	1	105.1898	1.968	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	110.3700	0.875	2	110.3700	0.766	2	108.7739	1.246	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){1|O<1>,4|C<3>}	108.2418	0.483	6	108.2418	0.233	6	108.7739	1.246	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2{1|C<3>,2|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	106.1120	0.891	2	106.1120	0.794	2	106.1120	0.794	2	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2{1|N<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	107.6805	4.195	2	107.6805	17.600	2	107.6805	17.600	2	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.5030	1.425	8	108.2062	5.967	44	108.2623	5.642	48	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.1833	2.122	4	108.2062	5.967	44	108.2623	5.642	48	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.3497	2.665	30	108.2062	5.967	44	108.2623	5.642	48	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.9115	4.166	2	108.2062	5.967	44	108.2623	5.642	48	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)2(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O){1|O<1>,2|C<4>,3|O<2>}	108.8800	1.519	4	108.8800	2.306	4	108.2623	5.642	48	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	107.2032	1.303	6	107.2032	1.698	6	107.1320	1.450	7	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	106.7050	0.000	1	106.7050	0.000	1	107.1320	1.450	7	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	109.4695	0.955	2	109.4695	0.913	2	108.8305	0.631	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)(CH3){1|S<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	108.6707	0.731	8	108.6707	0.535	8	108.8305	0.631	10	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O){1|O<1>,2|C<3>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[4,6]-3:C[6]-4:O-1:	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O)	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2{1|P<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	107.9510	0.210	4	107.9510	0.044	4	107.9510	0.044	4	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	108.6710	1.144	2	108.6710	1.309	2	108.1456	1.159	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	107.4675	1.191	2	108.0422	1.967	4	108.1456	1.159	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<4>,2|C<3>}	108.6170	1.778	2	108.0422	1.967	4	108.1456	1.159	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.8270	0.328	2	107.8270	0.108	2	108.1456	1.159	8	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)2{1|N<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	107.5580	2.731	2	107.5580	7.458	2	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	107.9540	0.000	1	107.9540	0.000	1	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	106.0460	0.000	1	106.0460	0.000	1	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2{1|P<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	107.3485	0.622	4	107.3485	0.387	4	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.0650	0.810	2	108.6975	1.940	8	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	109.1050	2.267	2	108.6975	1.940	8	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	108.8100	1.483	4	108.6975	1.940	8	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	109.3430	0.000	1	109.3430	0.000	1	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	108.5391	1.620	8	108.8247	1.836	52	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	108.5900	1.442	4	108.8247	1.836	52	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	108.8435	0.524	4	108.8247	1.836	52	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	108.9696	1.403	24	108.8247	1.836	52	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	108.7973	1.399	12	108.8247	1.836	52	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	108.3632	0.508	4	108.2936	0.198	8	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	108.2240	0.436	4	108.2936	0.198	8	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	108.2045	2.998	4	108.2045	8.986	4	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	108.1220	0.568	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.6437	0.593	12	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.6659	0.996	12	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.8470	1.347	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	108.7535	0.653	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	108.0653	1.994	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	108.3083	1.203	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	108.5232	0.800	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	108.5987	0.728	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	108.4730	1.901	2	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	109.1502	2.044	12	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	108.5962	2.032	12	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	108.6478	3.266	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	107.9183	1.405	14	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.3098	3.432	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	108.7548	2.594	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	108.6928	2.386	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	108.8263	2.141	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	109.0628	1.721	32	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	107.9360	0.673	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	107.9797	2.779	4	108.6049	2.805	152	108.5984	2.533	233	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	105.7890	0.000	1	105.7890	0.000	1	105.7890	0.000	1	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	110.1575	0.011	2	110.1575	0.000	2	110.1575	0.000	2	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	110.0295	0.296	4	110.0295	0.088	4	110.0295	0.088	4	108.4153	3.191	345	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	109.1884	0.982	8	109.1884	0.964	8	109.1884	0.964	8	109.1884	0.964	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]C)(CH3)2{1|C<3>,2|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH){1|C<4>,1|H<1>,3|C<3>}	109.7945	0.586	2	109.7945	0.344	2	113.5745	19.166	4	113.5745	19.166	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3600	0.000	1	117.3600	0.000	1	113.5745	19.166	4	113.5745	19.166	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3490	0.000	1	117.3490	0.000	1	113.5745	19.166	4	113.5745	19.166	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CH3)2{2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	109.2725	2.060	2	109.2725	4.243	2	109.2725	4.243	2	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	106.9310	1.676	4	106.9310	2.809	4	107.6791	2.508	11	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCHH)(CH3){1|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	107.1372	1.200	4	107.1372	1.439	4	107.6791	2.508	11	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CH3){1|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.3990	0.151	3	109.3990	0.023	3	107.6791	2.508	11	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:C[6]-3:N-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(NHHO)(CH3)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(NHHO)(CH3){1|C<4>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	112.0615	0.745	2	112.0615	0.554	2	112.0615	0.554	2	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<4>,3|H<1>}	104.2190	0.000	1	104.2190	0.000	1	104.2190	0.000	1	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	108.6110	0.506	2	108.3835	0.172	4	108.3835	0.172	4	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	108.1560	0.229	2	108.3835	0.172	4	108.3835	0.172	4	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:S-1:	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(S)	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(S){1|C<3>,1|C<4>,2|H<1>}	109.9655	1.157	4	109.9655	1.340	4	109.9655	1.340	4	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:2:1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6,6])(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6,6])(O){1|C<3>,1|N<2>,2|C<4>}	108.6030	0.543	2	108.6030	0.295	2	108.6030	0.295	2	108.5369	3.826	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	107.0440	0.000	1	107.0440	0.000	1	107.0440	0.000	1	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.7180	1.332	2	106.7180	1.775	2	106.7180	1.775	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	106.2548	5.100	6	106.2548	26.011	6	107.0652	14.339	12	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	107.8757	1.989	6	107.8757	3.958	6	107.0652	14.339	12	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C(C[6]C[6,6a]C[6]C)(Br)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(Br)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	108.6430	0.000	1	108.6430	0.000	1	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H){1|O<1>,1|P<4>,4|C<3>}	106.4720	0.948	4	106.4720	0.899	4	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	109.2365	0.537	4	109.2365	0.288	4	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){3|C<3>}	106.3957	0.150	3	106.9066	0.922	11	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pd<4>,3|C<3>}	107.8445	0.070	2	106.9066	0.922	11	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pt<4>,3|C<3>}	106.8495	1.150	6	106.9066	0.922	11	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H){1|O<1>,3|C<3>}	106.8900	0.260	2	106.8900	0.068	2	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|O<1>,3|C<3>}	106.6650	1.096	2	107.3122	1.274	8	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pd<4>,3|C<3>}	108.3205	0.644	2	107.3122	1.274	8	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|Pt<4>,3|C<3>}	107.1317	1.197	4	107.3122	1.274	8	107.3243	1.494	30	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	105.0050	0.000	1	105.0050	0.000	1	104.8025	0.082	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O){1|H<1>,4|C<3>}	104.6000	0.000	1	104.6000	0.000	1	104.8025	0.082	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	105.3565	0.439	2	105.3565	0.193	2	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	105.4140	0.000	1	105.4140	0.000	1	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	104.9915	0.527	4	104.9915	0.277	4	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	108.3580	0.000	1	108.3580	0.000	1	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	106.6748	1.864	8	106.6748	3.473	8	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	105.4290	0.000	1	105.4290	0.000	1	106.0752	2.500	17	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	106.2280	0.000	1	106.2280	0.000	1	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	108.5690	0.855	6	108.5690	0.732	6	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|O<1>}	109.0080	0.397	2	109.0080	0.158	2	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	108.6290	0.000	1	108.6290	0.000	1	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	108.6035	0.288	2	108.6035	0.083	2	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	109.0987	0.670	4	109.0987	0.449	4	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	109.9690	0.899	4	109.9690	0.808	4	108.8882	1.077	20	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	106.8593	1.894	6	106.8593	3.587	6	106.8593	3.587	6	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	107.9850	0.000	1	107.9850	0.000	1	109.4576	0.786	5	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	109.8257	0.380	4	109.8257	0.145	4	109.4576	0.786	5	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)2(CC[6a]HH)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	111.0250	0.132	2	111.0250	0.017	2	111.0250	0.017	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:C[6]-3:S-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	110.8665	0.685	2	110.8665	0.469	2	110.8665	0.469	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	111.3220	1.888	36	111.3220	3.565	36	111.2181	3.575	38	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2{1|C<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	109.3490	0.361	2	109.3490	0.130	2	111.2181	3.575	38	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	108.5930	0.716	2	108.5930	0.512	2	108.5930	0.512	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C(C[6]N[5,6]C[6]C)(H)3	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	108.4535	0.593	2	108.4535	0.352	2	108.4535	0.352	2	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O){1|C<3>,1|N<2>,2|C<4>}	108.9719	0.606	8	108.9719	0.367	8	109.2248	0.383	16	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|C<4>}	109.4776	0.554	8	109.4776	0.307	8	109.2248	0.383	16	108.6236	6.137	158	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	110.2515	0.499	2	110.2515	0.249	2	110.2515	0.249	2	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	108.7138	1.727	4	108.7138	2.983	4	108.7138	2.983	4	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC){2|C<3>}	111.6670	0.000	1	111.6670	0.000	1	108.9337	8.736	3	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	107.5670	2.503	2	107.5670	6.266	2	108.9337	8.736	3	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	108.0120	0.000	1	108.0120	0.000	1	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	106.2120	0.158	2	106.2120	0.025	2	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	109.4150	0.801	3	109.4150	0.641	3	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	109.1773	0.397	4	109.1773	0.157	4	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	108.0910	1.766	4	108.3556	1.553	8	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	108.6202	0.565	4	108.3556	1.553	8	108.4575	1.638	18	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	108.8063	2.680	28	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	109.9015	2.896	4	109.9015	8.384	4	108.5304	8.049	8	108.3546	7.871	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	107.1593	2.320	4	107.1593	5.383	4	108.5304	8.049	8	108.3546	7.871	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	104.1080	0.000	1	104.1080	0.000	1	104.1080	0.000	1	108.3546	7.871	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	109.7750	0.233	2	109.7750	0.054	2	109.7750	0.054	2	108.3546	7.871	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(CH3)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	106.5345	2.986	2	106.5345	8.917	2	106.5345	8.917	2	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.1625	4.060	2	106.7206	15.068	16	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	106.7412	4.222	10	106.7206	15.068	16	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	106.4480	4.017	4	106.7206	15.068	16	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	107.1585	0.823	4	107.1585	0.677	4	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	109.5310	0.000	1	109.5310	0.000	1	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	108.1723	0.848	31	108.1447	0.771	35	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)2{2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	107.9305	1.213	4	108.1447	0.771	35	107.6921	5.110	56	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3560	0.209	2	109.3560	0.044	2	109.3560	0.044	2	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O){1|C<4>,2|H<1>}	108.5875	0.319	2	108.5875	0.102	2	108.5875	0.102	2	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	107.8205	1.208	2	107.8205	1.460	2	107.9203	0.355	6	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)2(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	107.9703	0.308	4	107.9703	0.095	4	107.9203	0.355	6	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.7265	0.260	2	111.7265	0.067	2	111.7265	0.067	2	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,1|O<2>}	108.9510	1.549	36	108.9510	2.399	36	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>}	108.2475	0.938	2	108.2475	0.880	2	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	108.4015	0.074	2	108.4015	0.006	2	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.7968	2.001	4	107.7968	4.005	4	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	107.2640	0.294	3	107.2640	0.086	3	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	107.4120	0.566	3	107.4120	0.321	3	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]CH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	106.6950	2.763	2	106.6950	7.636	2	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.8870	0.372	2	105.8870	0.138	2	108.4428	2.699	54	108.1178	3.948	124	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]N)2(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]N)2(CH3)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	109.7398	3.052	4	109.7398	9.315	4	109.7398	9.315	4	109.7398	9.315	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6]2C)(NN)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	C(C[6]C[6]2C)(NN)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6]2C)(NN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CHHN)(CH3){1|S<4>,2|C<3>}	C(C[6]C[6]2C)(NN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH)	C(C[6]C[6]2C)(CC)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH){1|C<4>}	C(C[6]C[6]2C)(CC)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.1640	0.373	2	109.1640	0.139	2	109.1640	0.139	2	109.1640	0.139	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	110.0168	0.756	4	110.0168	0.572	4	110.0168	0.572	4	110.0168	0.572	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:4:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHHO)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.1645	1.941	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CN)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CN)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	107.5262	1.435	5	107.5262	2.058	5	107.5262	2.058	5	108.1645	1.941	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O){1|C<4>,2|H<1>}	107.8140	0.648	2	107.8140	0.420	2	107.8140	0.420	2	108.1645	1.941	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:2:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CHHO)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.9590	0.054	2	109.9590	0.003	2	109.9590	0.003	2	108.1645	1.941	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	108.0110	0.000	1	108.0110	0.000	1	107.6685	0.235	2	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	107.3260	0.000	1	107.3260	0.000	1	107.6685	0.235	2	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	106.6045	2.542	2	106.6045	6.462	2	107.3495	6.081	4	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	105.9080	0.000	1	105.9080	0.000	1	107.3495	6.081	4	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(O){1|O<1>,2|C<3>}	110.2810	0.000	1	110.2810	0.000	1	107.3495	6.081	4	107.9393	4.738	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H){2|C<3>,2|H<1>}	108.0360	1.772	2	108.0360	3.140	2	108.0360	3.140	2	109.0018	2.642	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(NCH)(H)2	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O){2|C<3>,2|H<1>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	109.0018	2.642	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|O<1>,2|N<3>}	108.8938	1.217	4	108.8938	1.482	4	108.8938	1.482	4	109.0018	2.642	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CHHN){1|C<4>}	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	110.2935	2.873	2	110.2935	8.254	2	110.2935	8.254	2	109.0018	2.642	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	107.6838	0.402	4	107.6838	0.162	4	107.6838	0.162	4	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCF)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(COO)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	109.0020	0.000	1	109.0020	0.000	1	109.2320	0.331	3	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	109.3470	0.764	2	109.3470	0.583	2	109.2320	0.331	3	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(NOO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O){1|H<1>,4|C<3>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(NSS)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	107.8125	1.603	6	107.8125	2.569	6	108.9503	4.526	9	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C(C[6]C[6]2C)(CCO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	111.2260	0.168	3	111.2260	0.028	3	108.9503	4.526	9	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CBrC)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CBrC)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	109.6160	1.215	2	109.6160	1.476	2	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	107.3960	0.000	1	107.3960	0.000	1	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	107.9380	0.000	1	107.9380	0.000	1	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	108.3317	0.969	4	108.0131	0.655	10	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	108.0525	0.726	4	108.0131	0.655	10	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	107.2970	0.232	2	108.0131	0.655	10	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CC[6a]C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(CC[6a]C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	107.5665	1.517	2	107.5665	2.301	2	108.1144	1.029	16	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C(C[6]C[6]N[6]C)(CCH)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(CCH)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	108.2328	1.949	38	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	110.9135	0.974	2	110.9135	0.948	2	110.9135	0.948	2	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]H)(OC){2|C<3>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3)	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCFF)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CC[6a]O)(F)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	110.6650	0.000	1	110.6650	0.000	1	109.5940	2.171	9	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	110.7890	1.203	2	110.7890	1.448	2	109.5940	2.171	9	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH)	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.9530	1.936	2	108.9530	3.748	2	109.5940	2.171	9	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	109.0493	1.433	4	109.0493	2.053	4	109.5940	2.171	9	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	111.3547	0.924	3	111.3547	0.854	3	111.3547	0.854	3	110.0839	1.990	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	105.7088	0.787	4	105.7088	0.620	4	105.7088	0.620	4	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	106.6545	1.892	2	106.6545	3.578	2	106.6545	3.578	2	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,5,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	109.7235	2.265	2	109.7235	5.130	2	109.7235	5.130	2	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CCHH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	109.0680	1.135	3	109.0680	1.288	3	109.2048	1.232	6	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C(C[6]C[6]2C)(CCO)(H)2	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCO)(H)2	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	109.3417	1.318	3	109.3417	1.737	3	109.2048	1.232	6	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)(CH3)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]O)2(CC[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,1|O<2>}	108.5527	1.055	3	108.5527	1.114	3	108.5527	1.114	3	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN)	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]O)2(CC[6a]HH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NC[6a]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	111.4770	0.655	2	111.4770	0.429	2	111.4770	0.429	2	108.3809	4.257	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:3:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C(C[6]C[6]2C)(CCH)(NCH)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CCH)(NCH)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	109.5440	2.369	4	109.5440	5.611	4	109.5440	5.611	4	109.1804	4.869	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:3:1:	4:2:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<4>,3|H<1>}	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	109.1804	4.869	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:3:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:N-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3)	C(C[6]C[6]2C)(CCH)(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHN)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CCH)(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.3577	2.654	4	108.3577	7.045	4	108.3577	7.045	4	108.3577	7.045	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN)	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHN){1|C<4>}	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.1880	3.287	2	109.1880	10.802	2	109.1880	10.802	2	109.1880	10.802	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	107.7290	0.000	1	107.7290	0.000	1	107.6195	0.200	4	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	107.4480	0.000	1	107.4480	0.000	1	107.6195	0.200	4	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	107.6505	0.746	2	107.6505	0.557	2	107.6195	0.200	4	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:P-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){5|C<3>}	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(SC[6a]OO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CC)(O){1|N<2>,4|C<3>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CF3)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(CF3)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	104.5560	0.000	1	104.5560	0.000	1	107.3587	4.412	6	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	104.9480	0.000	1	104.9480	0.000	1	107.3587	4.412	6	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	108.8485	0.926	2	108.8485	0.857	2	107.3587	4.412	6	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	108.4755	0.776	2	108.4755	0.602	2	107.3587	4.412	6	107.3322	6.252	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CF3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6](C[6]C[6,6a]C)(C[6]N[6]O)(CCHH)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(CF3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(O[6]C[6])(O){2|C<3>,2|H<1>}	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5]HH)(CCHH){1|C<4>}	C(C[5]C[5]2Fe)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	107.3640	0.266	2	107.3640	0.071	2	107.3640	0.071	2	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|O<1>,2|N<3>}	108.4535	0.921	2	108.4535	0.849	2	109.0665	0.849	6	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,2|O<1>}	109.4055	1.488	2	109.4055	2.216	2	109.0665	0.849	6	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(O){1|N<3>,1|O<1>,1|S<2>}	109.3405	0.217	2	109.3405	0.047	2	109.0665	0.849	6	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHN)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCHH)(CH3){1|C<4>}	C(C[6]C[6]2C)(CCHN)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	110.9963	0.560	4	110.9963	0.313	4	109.7468	2.890	8	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH){1|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	107.2430	0.017	2	107.2430	0.000	2	109.7468	2.890	8	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CN[6]HH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH)(CCHH){1|C<4>}	C(C[6]C[6]2C)(CN[6]HH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	109.7515	0.713	2	109.7515	0.509	2	109.7468	2.890	8	109.0361	2.534	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NH){1|N<3>,2|C<3>}	109.7280	2.471	2	109.7280	6.104	2	109.7280	6.104	2	109.7280	6.104	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:2:3:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-2:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	109.2943	1.747	4	109.2943	3.050	4	109.2943	3.050	4	109.2943	3.050	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	110.2060	0.000	1	110.2060	0.000	1	109.4183	0.906	4	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	110.2720	0.000	1	110.2720	0.000	1	109.4183	0.906	4	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	108.5975	0.145	2	108.5975	0.021	2	109.4183	0.906	4	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	105.9190	0.000	1	105.9190	0.000	1	105.9190	0.000	1	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	108.0877	0.624	3	108.0877	0.389	3	108.0877	0.389	3	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	109.6218	1.874	6	109.6218	3.510	6	109.2472	1.960	34	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	108.6548	1.371	4	109.0744	1.846	22	109.2472	1.960	34	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<3>,2|N<2>}	109.1677	1.378	18	109.0744	1.846	22	109.2472	1.960	34	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	108.8402	0.393	4	108.8402	0.154	4	109.2472	1.960	34	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(CC3)	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	110.8380	0.815	2	110.8380	0.664	2	109.2472	1.960	34	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	108.3397	1.501	6	108.3397	2.252	6	108.3397	2.252	6	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.2978	0.823	4	108.2978	0.678	4	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	108.4230	0.612	2	108.4230	0.375	2	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	109.7740	0.000	1	109.7740	0.000	1	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	109.9705	1.817	2	109.9705	3.300	2	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	108.1715	1.698	2	108.1687	1.394	28	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.1685	1.179	26	108.1687	1.394	28	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Co)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Co)(O){1|N<3>,2|O<1>}	108.7285	0.237	2	108.7285	0.056	2	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O){1|N<3>,2|O<1>}	108.0385	3.934	2	108.0823	3.574	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Cu)(O){1|N<3>,2|O<1>}	108.0968	1.381	6	108.0823	3.574	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	108.3630	0.136	2	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.1371	1.224	46	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.3850	0.144	2	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.7095	4.215	2	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.0280	1.860	6	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	107.6998	1.576	4	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	107.9645	0.482	4	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	111.5675	2.529	2	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.3315	1.091	8	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.0735	0.709	4	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	107.7622	1.479	4	108.2045	1.920	84	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O){1|N<3>,2|O<1>}	108.2182	1.684	4	108.2599	1.546	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(O){1|N<3>,2|O<1>}	108.3015	0.875	4	108.2599	1.546	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(O){1|N<3>,2|O<1>}	108.4783	0.604	8	108.4783	0.364	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pt)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pt)(O){1|N<3>,2|O<1>}	108.0517	0.209	4	108.0517	0.044	4	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Zn)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Zn)(O){1|N<3>,2|O<1>}	108.1040	1.321	4	108.1040	1.745	4	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.6654	1.139	8	108.6654	1.297	8	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]HH)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	111.3980	0.778	2	111.3980	0.605	2	108.3056	1.749	165	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)(CC3)	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6]HH)(CC3){1|C<3>,2|C<4>}	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	112.4465	2.521	2	112.4465	6.355	2	112.4465	6.355	2	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)(NHHO)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCHH)(NHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	109.9775	0.235	2	109.9775	0.055	2	109.9775	0.055	2	108.5138	2.047	218	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CC)(C[6]O[6]N)(NC[6]){2|C<3>}	109.9775	2.505	2	109.9775	6.276	2	109.9775	6.276	2	108.8349	1.849	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP){1|C<3>,1|H<1>,1|N<2>}	108.6347	1.178	18	108.7253	1.266	22	108.7253	1.266	22	108.8349	1.849	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NP){1|C<3>,1|H<1>,1|N<3>}	109.1330	0.855	4	108.7253	1.266	22	108.7253	1.266	22	108.8349	1.849	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(OPd)	C[6](C[6]N[6]O)2(CCHH)2{1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Pd)(OPd){1|N<3>,2|O<1>}	108.8985	3.236	2	108.8985	10.474	2	108.8985	10.474	2	108.8349	1.849	26	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3)	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Ir)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	111.1172	10.168	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	109.8525	1.701	4	109.8525	2.894	4	109.8525	2.894	4	111.1172	10.168	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.7200	0.584	2	107.7200	0.341	2	107.7200	0.341	2	106.6834	5.268	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	106.6834	5.268	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH)	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]O)2(CC[5]HH)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)2(O){1|C<3>,1|O<1>,1|O<2>}	104.8953	1.586	3	104.8953	2.514	3	104.8953	2.514	3	106.6834	5.268	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	106.6834	5.268	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:2:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	109.2830	1.819	4	109.2830	3.307	4	109.2830	3.307	4	109.2830	3.307	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	107.8090	3.028	2	107.8090	9.168	2	107.8090	9.168	2	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CCCH)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	107.0910	2.508	4	107.0910	6.289	4	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	107.6730	2.635	2	107.9010	3.448	6	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	108.0150	1.839	4	107.9010	3.448	6	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	105.4250	0.000	1	105.4250	0.000	1	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	109.6570	0.000	1	107.4943	6.014	3	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCCH)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	106.4130	2.239	2	107.4943	6.014	3	107.4056	4.150	14	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:S-4:	C[6]-4:S-4:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CHSS)(SCOO)	C(C[6]C[6]2S)(SCOO)2(H)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CHSS)(SCOO){1|C<3>,2|C<4>}	C(C[6]C[6]2S)(SCOO)2(H)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	108.9420	3.116	2	108.9420	9.706	2	108.9420	9.706	2	107.6211	4.531	18	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)2{1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	109.9565	1.016	2	109.9565	1.032	2	109.9565	1.032	2	109.9565	1.032	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(CC3)	C(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	108.4385	0.043	2	108.4385	0.002	2	107.5770	1.073	4	107.5770	1.073	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:3:4:4:	4:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)(CC3)	C(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6]HH)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	106.7155	0.499	2	106.7155	0.249	2	107.5770	1.073	4	107.5770	1.073	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	3:4:1:1:	4:3:1:	C[6]-3:C-4:N[6]-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	110.2895	5.130	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	3:4:1:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	110.2895	5.130	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:1:1:	3:4:1:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:1:1:	4:2:2:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	112.0355	0.441	6	112.0355	0.195	6	112.0355	0.195	6	112.0355	0.195	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:1:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	112.4168	1.949	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:1:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	112.6210	0.000	1	113.0520	0.502	3	113.0520	0.502	3	112.4168	1.949	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:1:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	113.2675	0.852	2	113.0520	0.502	3	113.0520	0.502	3	112.4168	1.949	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:2:1:	3:4:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O){3|C<4>,3|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:2:1:	4:2:2:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:2:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:3:1:	4:3:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:4:1:	4:2:1:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>}	111.5050	0.526	2	111.5050	0.277	2	111.5050	0.277	2	111.5050	0.277	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:4:1:	4:2:2:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:1:	4:3:4:1:	4:3:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	3:4:1:1:	4:3:1:	C[6]-3:C-4:N[6]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]C)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	106.8430	0.837	2	106.8430	0.701	2	107.5732	1.010	5	107.5732	1.010	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,2|C<4>}	108.7760	0.000	1	108.7760	0.000	1	107.5732	1.010	5	107.5732	1.010	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	107.7020	0.891	2	107.7020	0.794	2	107.5732	1.010	5	107.5732	1.010	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:2:2:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6])(OC){1|C<3>,2|C<4>}	109.9865	0.016	2	109.9865	0.000	2	109.9865	0.000	2	109.9865	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:3:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:1:1:1:	4:4:3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:1:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,2|C<4>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:1:1:	4:2:2:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(N[6]C[6])(OC)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CC)(N[6]C[6])(OC){1|C<3>,2|C<4>}	110.1695	0.346	2	110.1695	0.120	2	110.1695	0.120	2	110.1695	0.120	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:1:1:	4:4:3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:2:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	107.5110	2.779	2	107.5110	7.722	2	107.5110	7.722	2	107.5110	7.722	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:4:1:	4:2:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	106.1760	0.187	2	106.1760	0.035	2	106.1760	0.035	2	107.7387	7.343	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:2:4:	4:3:4:1:	4:2:1:	C[6]-3:C-4:N[6]-2:O-4:	C[6]-4:C[6a]-3:N-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]N[6]CO)(O[6]C[6])(O)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6](C[6]N[6]CO)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	107.7387	7.343	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:3:	4:3:1:1:	4:4:1:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	111.9430	3.625	2	111.9430	13.138	2	111.9430	13.138	2	111.9430	13.138	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C(C[6]C[6,6a]C[5]C[6])(H)3	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[5]C[6])(H)3	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.3713	1.395	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	108.3713	1.395	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){3|C<2>,5|C<3>}	107.7570	0.000	1	107.7570	0.000	1	107.1885	0.646	2	108.3713	1.395	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	106.6200	0.000	1	106.6200	0.000	1	107.1885	0.646	2	108.3713	1.395	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	109.2755	0.151	2	109.2755	0.023	2	109.2755	0.023	2	108.3713	1.395	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:2:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[5a]C[6]2)(H)3	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5a]C[6]2)(H)3	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC){1|C<4>,4|C<3>,4|H<1>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	111.4700	0.000	1	110.3645	2.444	2	110.3645	2.444	2	110.3645	2.444	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	109.2590	0.000	1	110.3645	2.444	2	110.3645	2.444	2	110.3645	2.444	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	104.1270	0.000	1	104.1270	0.000	1	107.0365	16.930	2	107.0365	16.930	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O){1|C<4>,2|C<3>,4|H<1>}	109.9460	0.000	1	109.9460	0.000	1	107.0365	16.930	2	107.0365	16.930	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:4:2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C(C[6]C[6a]C[6]2)(H)2(I)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(H)2(I)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,4|H<1>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	99.9468	0.000	1	99.9468	0.000	1	99.9468	0.000	1	99.9468	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5]C[6])(CCH)(H)2	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	108.2827	4.995	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	110.0870	0.979	2	110.0870	0.958	2	110.0870	0.958	2	108.2827	4.995	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C(C[6]C[6a]C[6]2)(NCS)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(NCS)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	108.2827	4.995	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){2|H<1>,6|C<3>}	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	105.2889	24.289	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	99.6508	0.000	1	99.6508	0.000	1	104.2139	41.644	2	105.2889	24.289	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7770	0.000	1	108.7770	0.000	1	104.2139	41.644	2	105.2889	24.289	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:2:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:S-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC){1|C<4>,2|C<3>,4|H<1>}	113.7630	0.656	2	113.7630	0.431	2	113.7630	0.431	2	113.7630	0.431	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	112.0410	0.016	2	112.0410	0.000	2	112.0410	0.000	2	111.9812	1.144	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.6030	0.000	2	111.6030	0.000	2	111.6030	0.000	2	111.9812	1.144	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	113.4235	1.569	2	113.4235	2.462	2	113.4235	2.462	2	111.9812	1.144	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5090	0.307	2	111.2320	0.277	3	111.2320	0.277	3	111.9812	1.144	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.6780	0.000	1	111.2320	0.277	3	111.2320	0.277	3	111.9812	1.144	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7945	1.389	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	111.8310	0.000	1	111.8310	0.000	1	112.8063	2.082	3	112.7945	1.389	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|Se<3>,2|C<3>,3|H<1>}	113.2940	1.655	2	113.2940	2.738	2	112.8063	2.082	3	112.7945	1.389	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:2:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	111.0920	1.793	2	111.0920	3.216	2	111.0920	3.216	2	111.0920	3.216	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:3:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.5685	0.534	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:3:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	110.5685	0.534	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:3:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	116.8500	0.000	1	116.8500	0.000	1	114.8710	7.833	2	114.8710	7.833	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	112.8920	0.000	1	112.8920	0.000	1	114.8710	7.833	2	114.8710	7.833	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	112.4450	0.000	2	112.4450	0.000	2	112.1338	1.500	6	112.1338	1.500	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	113.1685	0.252	2	113.1685	0.064	2	112.1338	1.500	6	112.1338	1.500	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	110.7880	1.216	2	110.7880	1.479	2	112.1338	1.500	6	112.1338	1.500	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	3:4:4:1:	3:4:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.6680	1.151	2	111.6680	1.325	2	111.6680	1.325	2	111.6680	1.325	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	111.3433	2.163	3	111.3433	4.679	3	112.3957	3.181	8	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|O<2>,2|H<1>,7|C<3>}	113.5567	1.620	3	113.5567	2.623	3	112.3957	3.181	8	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|S<2>,2|H<1>,7|C<3>}	112.2330	0.495	2	112.2330	0.245	2	112.3957	3.181	8	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	111.2115	0.028	2	111.2115	0.001	2	111.2115	0.001	2	111.8857	2.445	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	112.3040	0.000	1	112.3040	0.000	1	111.1205	2.801	2	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	109.9370	0.000	1	109.9370	0.000	1	111.1205	2.801	2	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	111.2900	0.455	5	111.2900	0.207	5	111.1460	0.290	6	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	110.4260	0.000	1	110.4260	0.000	1	111.1460	0.290	6	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.2830	0.000	1	110.6113	0.402	3	110.6113	0.402	3	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.2755	0.357	2	110.6113	0.402	3	110.6113	0.402	3	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.5390	0.000	1	112.1470	3.875	2	112.1470	3.875	2	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.7550	0.000	1	112.1470	3.875	2	112.1470	3.875	2	111.1748	0.907	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6]){3|C<3>,5|H<1>}	108.4570	1.048	2	108.4570	1.098	2	108.4570	1.098	2	108.4570	1.098	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(F)3	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	110.3410	0.000	1	110.3410	0.000	1	110.5215	0.065	2	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	C(C[6]C[6]2H)(F)3	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	110.7020	0.000	1	110.7020	0.000	1	110.5215	0.065	2	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	109.6920	0.000	1	109.6920	0.000	1	110.5170	1.361	2	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B){1|N<3>,2|C<3>,6|H<1>}	111.3420	0.000	1	111.3420	0.000	1	110.5170	1.361	2	110.4559	0.469	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	111.4350	0.313	2	111.4350	0.098	2	111.4350	0.098	2	111.4350	0.098	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<2>,2|H<1>,3|C<4>}	113.5230	0.000	1	113.5230	0.000	1	112.8950	0.789	2	111.1014	5.012	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	112.2670	0.000	1	112.2670	0.000	1	112.8950	0.789	2	111.1014	5.012	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,7|H<1>}	112.2910	0.000	1	112.2910	0.000	1	112.2910	0.000	1	111.1014	5.012	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	108.7130	0.000	2	108.7130	0.000	2	108.7130	0.000	2	111.1014	5.012	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH){3|C<4>,5|H<1>}	114.4280	0.000	1	114.4280	0.000	1	114.5105	0.014	2	114.5105	0.014	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	114.5930	0.000	1	114.5930	0.000	1	114.5105	0.014	2	114.5105	0.014	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:2:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:2:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2730	0.003	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:2:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.2730	0.003	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:2:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO){3|C<4>,4|H<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	110.9655	0.022	2	110.9655	0.000	2	110.9655	0.000	2	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,2|C<4>,3|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.4867	0.602	3	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	112.3630	0.000	1	112.3630	0.000	1	111.4867	0.602	3	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|H<1>,3|C<3>}	110.8880	0.000	1	110.8880	0.000	1	111.4867	0.602	3	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	111.3015	0.088	2	110.8257	0.683	3	110.8257	0.683	3	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){4|C<4>,4|H<1>}	109.8740	0.000	1	110.8257	0.683	3	110.8257	0.683	3	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	108.5620	1.875	2	108.5620	3.517	2	108.5620	3.517	2	110.5992	1.908	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	3:4:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH){2|C<3>,2|H<1>,4|C<4>}	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:2:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(CCC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:2:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]2H)(COO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,3|H<1>}	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:3:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	113.1310	1.222	2	113.1310	1.493	2	113.1310	1.493	2	113.1310	1.493	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:3:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	112.3270	0.116	2	112.3270	0.013	2	112.3270	0.013	2	112.3270	0.013	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	109.9007	1.069	3	109.9007	1.144	3	109.9007	1.144	3	109.9007	1.144	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	110.8415	0.064	2	110.8415	0.004	2	110.8415	0.004	2	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.6860	0.000	1	106.6860	0.000	1	110.3285	10.025	4	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	111.5427	2.488	3	111.5427	6.192	3	110.3285	10.025	4	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)2(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	111.4190	1.250	2	111.4190	1.563	2	111.4190	1.563	2	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C(C[6]C[6]2H)(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	113.1260	0.000	1	113.1260	0.000	1	113.1260	0.000	1	110.9686	4.270	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN){1|C<4>,2|C<3>,3|H<1>}	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	109.8570	0.000	1	109.8570	0.000	1	110.6390	1.223	2	110.6390	1.223	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	111.4210	0.000	1	111.4210	0.000	1	110.6390	1.223	2	110.6390	1.223	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	114.4980	3.216	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	114.4980	3.216	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	111.5662	0.495	4	111.5662	0.245	4	111.5662	0.245	4	111.5662	0.245	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	110.6977	0.209	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H){2|C<3>}	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	110.7155	0.646	2	110.7155	0.417	2	110.7155	0.417	2	110.6977	0.209	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	116.4695	0.052	2	116.4695	0.003	2	116.4695	0.003	2	116.4695	0.003	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<4>,4|H<1>}	112.7090	0.000	1	112.7090	0.000	1	112.4593	0.170	3	112.4593	0.170	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	112.3345	0.496	2	112.3345	0.246	2	112.4593	0.170	3	112.4593	0.170	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O){2|N<3>,3|C<4>,4|H<1>}	113.4330	0.412	2	113.4330	0.169	2	113.4330	0.169	2	113.4330	0.169	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	112.5540	0.000	1	113.6283	0.866	3	113.6283	0.866	3	113.6283	0.866	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:1:	4:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	114.1655	0.023	2	113.6283	0.866	3	113.6283	0.866	3	113.6283	0.866	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:2:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	C(C[6]C[6]2H)(CH3)2(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.7730	0.003	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:1:	4:4:4:2:	3:4:3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:S-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C(C[6]C[6]2H)(CH3)2(SC)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]2H)(CH3)2(SC)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	113.7730	0.003	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	107.2305	0.578	2	107.2305	0.334	2	106.4905	0.504	6	106.3820	0.405	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	106.3805	0.235	2	106.3805	0.055	2	106.4905	0.504	6	106.3820	0.405	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>,2|O<2>}	105.8605	0.469	2	105.8605	0.220	2	106.4905	0.504	6	106.3820	0.405	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	106.1830	0.000	1	106.1830	0.000	1	106.0565	0.032	2	106.3820	0.405	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	105.9300	0.000	1	105.9300	0.000	1	106.0565	0.032	2	106.3820	0.405	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	110.5450	0.000	1	110.5450	0.000	1	110.0080	0.577	2	110.0080	0.577	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	3:4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	109.4710	0.000	1	109.4710	0.000	1	110.0080	0.577	2	110.0080	0.577	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.7840	0.048	4	107.7840	0.002	4	107.7840	0.002	4	107.2936	0.628	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	106.4527	0.705	3	106.4527	0.496	3	106.8032	0.823	4	107.2936	0.628	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	107.8550	0.000	1	107.8550	0.000	1	106.8032	0.823	4	107.2936	0.628	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO){1|C<4>,2|C<3>,3|H<1>}	112.8525	2.146	2	112.8525	4.606	2	112.8525	4.606	2	112.8525	4.606	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|F<1>,3|H<1>,4|C<3>}	108.7040	0.000	1	108.7040	0.000	1	110.0705	3.735	2	110.0705	3.735	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	111.4370	0.000	1	111.4370	0.000	1	110.0705	3.735	2	110.0705	3.735	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH){2|C<3>,2|C<4>,4|H<1>}	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:2:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|O<2>,2|C<4>,4|H<1>}	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.3300	0.000	1	107.3300	0.000	1	109.0340	5.807	2	108.2013	4.984	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,2|C<3>,3|O<2>}	110.7380	0.000	1	110.7380	0.000	1	109.0340	5.807	2	108.2013	4.984	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	108.2013	4.984	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	106.5810	0.000	1	106.5810	0.000	1	106.7695	0.071	2	106.7695	0.071	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	106.9580	0.000	1	106.9580	0.000	1	106.7695	0.071	2	106.7695	0.071	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	114.6575	0.074	2	114.6575	0.006	2	114.6575	0.006	2	114.6575	0.006	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	110.2265	0.172	2	110.2265	0.030	2	110.3426	0.667	5	110.3426	0.667	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	110.1650	1.485	2	110.1650	2.205	2	110.3426	0.667	5	110.3426	0.667	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:2:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	110.9300	0.000	1	110.9300	0.000	1	110.3426	0.667	5	110.3426	0.667	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	3:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CC)(O){3|C<4>,3|H<1>}	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	3:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	109.2370	0.499	5	109.2370	0.249	5	109.2370	0.249	5	109.2370	0.249	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.9650	0.747	2	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.3067	0.338	3	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.6300	0.000	1	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	108.2660	0.000	1	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	108.5110	0.669	2	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	110.4480	0.000	1	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	108.6860	0.000	1	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<2>,3|C<4>,4|H<1>}	108.3680	0.385	3	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	109.3547	1.127	4	108.5236	1.046	18	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	108.2750	0.000	1	108.2750	0.000	1	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.2680	0.959	2	108.2680	0.919	2	108.4874	0.943	21	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<2>,3|C<4>,3|H<1>}	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	108.5630	1.023	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.5683	0.446	3	107.5683	0.199	3	106.5769	1.512	7	106.5769	1.512	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){1|I<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O){1|C<4>,5|H<1>}	105.8332	1.082	4	105.8332	1.171	4	106.5769	1.512	7	106.5769	1.512	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO){3|C<3>}	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){3|C<3>,3|H<1>}	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.0064	4.425	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	107.9365	0.087	2	107.9365	0.008	2	109.4493	6.870	3	109.0064	4.425	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	112.4750	0.000	1	112.4750	0.000	1	109.4493	6.870	3	109.0064	4.425	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	109.0064	4.425	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O){1|O<2>,4|C<4>,5|H<1>}	105.9970	0.000	1	105.9970	0.000	1	105.9970	0.000	1	105.9970	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	110.3435	1.146	2	110.3435	1.314	2	110.3435	1.314	2	110.3435	1.314	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:3:	4:4:4:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	3:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,6]2)(C[6]C[6]CC)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,6]2)(C[6]C[6]CC)(H){2|H<1>,2|O<2>,3|C<4>}	108.6405	2.534	4	108.6405	6.419	4	108.6405	6.419	4	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,2|H<1>,4|C<4>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	109.4067	1.260	3	109.4067	1.587	3	109.2001	0.868	11	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.6620	0.150	2	108.6620	0.022	2	109.2001	0.868	11	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	109.7325	1.292	2	109.2762	0.949	6	109.2001	0.868	11	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	108.7280	1.329	2	109.2762	0.949	6	109.2001	0.868	11	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|C<3>,2|C<4>,2|H<1>}	109.3680	0.523	2	109.2762	0.949	6	109.2001	0.868	11	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O){2|C<3>,2|H<1>,3|C<4>}	110.0790	0.494	2	110.0790	0.244	2	108.5820	2.737	14	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.3325	1.654	12	108.3325	2.737	12	108.5820	2.737	14	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	109.7410	0.000	1	109.7410	0.000	1	108.2610	5.586	5	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	107.8910	2.557	4	107.8910	6.536	4	108.2610	5.586	5	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	107.5150	0.540	2	107.5150	0.292	2	107.5150	0.292	2	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O){2|C<4>,3|C<3>,4|H<1>}	104.9270	0.000	1	104.9270	0.000	1	104.9270	0.000	1	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:1:	C[6]-3:C[6]-4:N-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	108.5127	2.872	39	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2C)(H)3	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	110.5690	1.674	2	110.5690	2.804	2	110.5690	2.804	2	109.4170	2.418	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.8410	1.330	4	108.8410	1.769	4	108.8410	1.769	4	109.4170	2.418	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	111.4895	7.906	2	111.4895	62.507	2	111.9475	33.006	6	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	112.1765	5.828	4	112.1765	33.965	4	111.9475	33.006	6	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F){3|C<3>,3|H<1>}	116.5390	0.000	1	116.5390	0.000	1	117.2575	1.032	2	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N){3|C<3>,3|H<1>}	117.9760	0.000	1	117.9760	0.000	1	117.2575	1.032	2	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[6]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH)	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH){1|C<4>,2|C<3>,3|H<1>}	112.7060	2.479	2	112.7060	6.146	2	112.7060	6.146	2	112.6978	23.864	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	106.9680	0.000	2	106.9680	0.000	2	106.9680	0.000	2	106.9680	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	111.3900	2.102	2	111.3900	4.416	2	111.3900	4.416	2	111.3900	4.416	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,4|H<1>}	108.2660	3.080	2	108.2660	9.487	2	108.2660	9.487	2	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,4|H<1>}	107.5725	0.107	2	107.5725	0.011	2	108.1468	2.603	5	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3){1|Mn<8>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]CC)(O){3|C<4>,3|H<1>}	110.0460	0.000	1	110.0460	0.000	1	108.1468	2.603	5	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,4|H<1>}	107.7715	2.419	2	107.7715	5.852	2	108.1468	2.603	5	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	102.0600	0.000	2	102.0600	0.000	2	107.8069	9.669	14	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.1105	4.180	2	111.1105	17.470	2	107.8069	9.669	14	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,5|H<1>}	109.4085	1.297	4	109.4085	1.681	4	107.8069	9.669	14	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	107.5535	0.965	6	107.5535	0.931	6	107.8069	9.669	14	107.9315	7.313	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.1385	0.845	2	110.1385	0.714	2	110.1385	0.714	2	110.1385	0.714	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:2:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	109.5640	2.369	2	109.5640	5.611	2	109.5640	5.611	2	109.5640	5.611	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	109.7380	9.228	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:3:1:1:	3:4:1:	C[6]-3:C[6]-4:S-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH)	C(C[6]C[6]2S)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH){2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|O<2>,2|C<3>,3|H<1>}	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	109.7380	9.228	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	106.2480	0.458	2	106.2480	0.210	2	106.2480	0.210	2	106.1720	1.134	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.8370	0.000	1	104.8370	0.000	1	106.0960	3.170	2	106.1720	1.134	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.3550	0.000	1	107.3550	0.000	1	106.0960	3.170	2	106.1720	1.134	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C(C[6]C[6]2C)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F){3|C<3>,3|H<1>}	111.6580	0.000	1	111.6580	0.000	1	112.9340	3.256	2	112.9340	3.256	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C(C[6]C[6]2C)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N){3|C<3>,3|H<1>}	114.2100	0.000	1	114.2100	0.000	1	112.9340	3.256	2	112.9340	3.256	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	110.6310	0.000	2	110.6310	0.000	2	110.6310	0.000	2	110.6310	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3){1|Mn<8>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]CC)(O){3|C<4>,3|H<1>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	109.3407	2.098	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	110.1770	0.000	2	110.1770	0.000	2	110.1770	0.000	2	109.3407	2.098	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[3]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,2|H<1>,4|C<4>}	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	108.9657	1.069	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:2:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	108.8037	1.202	3	108.8037	1.446	3	108.8037	1.446	3	108.9657	1.069	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:2:1:	3:4:3:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	114.8990	0.000	1	114.8990	0.000	1	114.8990	0.000	1	114.8990	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	3:4:4:4:	4:4:4:1:	3:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[6]C[5]O[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	109.6340	2.169	2	109.6340	4.706	2	109.6340	4.706	2	109.8140	4.536	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	109.8140	4.536	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	111.3985	0.678	2	111.3985	0.460	2	111.3985	0.460	2	109.8140	4.536	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[6]C[5]O[6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.5170	0.737	2	111.5170	0.543	2	111.5170	0.543	2	111.5170	0.543	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	C(C[6]C[6,6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	111.6200	0.000	1	111.6200	0.000	1	111.6200	0.000	1	111.6200	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:2:4:	4:3:1:1:	4:2:2:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	C(C[6]C[5]C[6]N[6])(CCH)(H)2	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5]C[6]N[6])(CCH)(H)2	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.4365	0.026	2	109.4365	0.001	2	109.4365	0.001	2	109.4365	0.001	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:1:	3:4:4:1:	4:2:1:	C-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	113.4213	2.217	4	113.4213	4.914	4	113.4213	4.914	4	113.4213	4.914	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:1:	4:3:1:1:	4:2:1:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	117.5020	0.000	1	117.5020	0.000	1	116.0270	4.351	2	116.0270	4.351	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	114.5520	0.000	1	114.5520	0.000	1	116.0270	4.351	2	116.0270	4.351	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3){2|H<1>,8|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H){6|C<3>}	107.7210	0.342	2	107.7210	0.117	2	107.7210	0.117	2	107.7210	0.117	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:2:2:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:S-2:	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC)	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC){1|H<1>,1|S<2>,4|C<3>}	109.4890	0.008	2	109.4890	0.000	2	109.4890	0.000	2	109.4890	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:B[5]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]B[5]C[6])(H)3	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(B[5]O[5]2)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[5,6]B[5]C[6])(H)3	C[6](C[6]C[5,6]B[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.3695	0.175	2	111.3695	0.031	2	111.3695	0.031	2	109.6530	3.132	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3){1|S<4>,2|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.7410	0.443	2	109.7410	0.196	2	109.7410	0.196	2	109.6530	3.132	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.6530	3.132	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	109.6530	3.132	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	106.1190	0.000	1	106.1190	0.000	1	106.1190	0.000	1	106.1190	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:2:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.9000	0.409	2	108.0247	4.879	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:2:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.3520	0.000	1	110.3520	0.000	1	109.9000	0.409	2	108.0247	4.879	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:2:1:1:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]Si)(H){2|C<4>,4|C<3>}	106.1495	0.401	2	106.1495	0.161	2	106.1495	0.161	2	108.0247	4.879	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,3|C<3>,3|H<1>}	103.2710	0.000	1	103.2710	0.000	1	105.7225	12.020	2	105.7225	12.020	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:2:1:1:	4:4:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,3|C<3>,3|H<1>}	108.1740	0.000	1	108.1740	0.000	1	105.7225	12.020	2	105.7225	12.020	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6a]C[6])(CCH)(H)2	C[6](C[6]C[5,6]C[6a]C)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	102.2935	1.482	4	102.2935	2.197	4	102.2935	2.197	4	102.9878	4.058	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	105.7650	0.000	1	105.7650	0.000	1	105.7650	0.000	1	102.9878	4.058	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH){1|C<3>,4|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C[6a]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	106.1387	5.370	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	106.1387	5.370	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	107.0030	2.417	3	107.0030	5.841	3	105.6078	6.572	5	106.1387	5.370	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:2:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]C)(O[6]C[6])(O){1|H<1>,5|C<3>}	103.5150	0.074	2	103.5150	0.005	2	105.6078	6.572	5	106.1387	5.370	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH)	C(C[6]C[6]3)(CH3)(H)2	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]3)(CH3)(H)2	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	108.3232	0.878	6	108.3232	0.771	6	108.3232	0.771	6	108.3232	0.771	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	110.3880	3.375	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	110.3880	3.375	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	110.7580	0.000	1	110.7580	0.000	1	110.7835	0.001	2	111.6418	2.854	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	110.8090	0.000	1	110.8090	0.000	1	110.7835	0.001	2	111.6418	2.854	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]CH)(O){1|H<1>,2|O<1>,4|C<3>}	112.7440	0.000	1	112.7440	0.000	1	111.2275	4.600	2	111.6418	2.854	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	109.7110	0.000	1	109.7110	0.000	1	111.2275	4.600	2	111.6418	2.854	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	112.9145	2.147	2	112.9145	4.612	2	112.9145	4.612	2	111.6418	2.854	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	109.2880	0.000	1	109.3727	3.036	3	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	109.4150	2.462	2	109.3727	3.036	3	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	112.8090	0.000	1	112.8090	0.000	1	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|P<4>,2|C<3>}	111.2920	0.000	1	111.2920	0.000	1	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	110.9300	0.444	2	110.9183	0.099	3	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	110.8950	0.000	1	110.9183	0.099	3	110.6218	2.350	8	110.6218	2.350	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.7927	0.579	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	110.7927	0.579	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	111.6220	0.000	1	111.6220	0.000	1	110.7425	1.547	2	110.7927	0.579	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	109.8630	0.000	1	109.8630	0.000	1	110.7425	1.547	2	110.7927	0.579	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	112.3460	0.000	1	112.3460	0.000	1	110.2930	8.430	2	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	108.2400	0.000	1	108.2400	0.000	1	110.2930	8.430	2	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	112.5230	0.037	2	112.5230	0.001	2	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|N<3>,2|C<4>,2|H<1>}	111.1180	0.000	1	111.1180	0.000	1	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	112.0380	0.000	1	112.0380	0.000	1	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	111.0255	0.013	2	111.0255	0.000	2	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.3760	0.000	1	110.5010	7.031	2	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	108.6260	0.000	1	110.5010	7.031	2	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(O){1|N<3>,4|H<1>}	113.7510	0.550	2	113.7510	0.303	2	111.8757	2.337	10	111.6119	3.058	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(NO){1|C<4>,4|H<1>}	114.0550	1.925	2	114.0550	3.705	2	114.1245	1.244	4	114.1245	1.244	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	114.1940	0.095	2	114.1940	0.009	2	114.1245	1.244	4	114.1245	1.244	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH)	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	106.9560	1.804	3	106.9560	3.256	3	106.9560	3.256	3	106.9560	3.256	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	111.1188	1.908	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<4>,3|H<1>}	110.8920	1.202	5	110.8920	1.444	5	111.0085	2.055	8	111.1188	1.908	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.7260	0.000	1	110.7970	7.442	2	111.0085	2.055	8	111.1188	1.908	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	108.8680	0.000	1	110.7970	7.442	2	111.0085	2.055	8	111.1188	1.908	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.0140	0.000	1	112.0140	0.000	1	111.0085	2.055	8	111.1188	1.908	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|Fe<8>,2|C<4>,2|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	113.6700	0.885	2	112.3355	2.729	4	112.3355	2.729	4	112.3355	2.729	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.0010	0.529	2	112.3355	2.729	4	112.3355	2.729	4	112.3355	2.729	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	113.9865	0.367	2	113.9865	0.135	2	113.9865	0.135	2	112.1659	5.871	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.0913	3.388	4	112.0913	11.482	4	111.6457	6.386	7	112.1659	5.871	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	111.0517	1.004	3	111.0517	1.008	3	111.6457	6.386	7	112.1659	5.871	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:3:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){2|H<1>,3|C<4>}	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.2925	0.059	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.2925	0.059	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	110.5400	0.000	1	110.5400	0.000	1	112.1480	5.171	2	112.1480	5.171	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	113.7560	0.000	1	113.7560	0.000	1	112.1480	5.171	2	112.1480	5.171	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	111.4430	9.614	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	111.4430	9.614	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	111.4430	9.614	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:S-1:	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(S)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	113.8080	0.000	1	113.8080	0.000	1	113.8080	0.000	1	111.4430	9.614	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi){2|H<1>,3|C<4>}	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	111.8000	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.0800	0.000	1	112.0800	0.000	1	113.4467	0.814	8	113.4467	0.814	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	114.0138	0.534	5	113.6420	0.594	7	113.4467	0.814	8	113.4467	0.814	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.7125	0.069	2	113.6420	0.594	7	113.4467	0.814	8	113.4467	0.814	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<4>,4|H<1>}	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:3:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O)	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	109.4430	0.000	1	109.4430	0.000	1	110.5156	1.197	7	110.5156	1.197	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,3|C<3>,3|H<1>}	110.5710	1.389	2	110.6943	1.168	6	110.5156	1.197	7	110.5156	1.197	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,4|C<3>}	110.8670	0.000	1	110.6943	1.168	6	110.5156	1.197	7	110.5156	1.197	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	112.2760	0.000	1	110.6943	1.168	6	110.5156	1.197	7	110.5156	1.197	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	3:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	109.9405	0.463	2	110.6943	1.168	6	110.5156	1.197	7	110.5156	1.197	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	111.7140	0.110	2	111.7140	0.012	2	111.7140	0.012	2	111.7140	0.012	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	113.2805	0.420	4	113.2805	0.176	4	113.1020	0.291	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H){1|O<1>,1|O<2>,4|C<3>}	112.3880	0.000	1	112.3880	0.000	1	113.1020	0.291	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br)	C(C[6]C[6]2Br)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2Br)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	C(C[6]C[6]2H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H){1|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	114.0050	0.000	1	114.0050	0.000	1	113.2290	1.204	2	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H){1|B<3>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|C<3>,3|H<1>}	112.4530	0.000	1	112.4530	0.000	1	113.2290	1.204	2	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	112.2500	0.000	1	112.2500	0.000	1	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	110.2090	0.000	1	110.2090	0.000	1	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	108.9040	0.000	1	108.9040	0.000	1	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	110.2930	0.609	5	109.8206	0.397	16	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	108.9380	0.000	1	109.8206	0.397	16	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	109.6726	0.512	10	109.8206	0.397	16	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	110.6240	0.346	5	110.5870	0.104	6	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,3|C<3>}	110.4020	0.000	1	110.5870	0.104	6	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.4930	0.000	1	110.4930	0.000	1	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	110.7470	0.000	1	110.7470	0.000	1	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	111.0393	0.836	3	111.0393	0.699	3	110.2124	0.671	30	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H){4|C<4>}	C(C[6]C[6]2H)(H)3	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	111.7500	0.000	1	111.7500	0.000	1	110.1594	0.944	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.1160	0.000	1	109.5685	0.410	2	110.1594	0.944	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.0210	0.000	1	109.5685	0.410	2	110.1594	0.944	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.1220	0.000	1	109.9550	0.056	2	110.1594	0.944	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.7880	0.000	1	109.9550	0.056	2	110.1594	0.944	5	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	110.8346	2.006	53	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	115.2470	0.000	1	115.2470	0.000	1	115.2470	0.000	1	112.8900	3.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.7590	0.000	1	113.7590	0.000	1	112.0435	5.886	2	112.8900	3.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H){5|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|N<3>,2|H<1>,3|C<3>}	110.3280	0.000	1	110.3280	0.000	1	112.0435	5.886	2	112.8900	3.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	112.8900	3.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|Pd<5>,1|C<4>,3|C<3>,3|H<1>}	111.7685	0.357	2	111.7685	0.128	2	111.7685	0.128	2	112.8900	3.602	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	110.7730	0.000	1	110.7730	0.000	1	112.2580	1.384	6	112.2580	1.384	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	113.4905	0.218	2	113.4905	0.048	2	112.2580	1.384	6	112.2580	1.384	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	112.6950	0.000	1	111.9313	0.655	3	112.2580	1.384	6	112.2580	1.384	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.5495	0.660	2	111.9313	0.655	3	112.2580	1.384	6	112.2580	1.384	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	111.6065	0.081	2	111.6065	0.007	2	111.6065	0.007	2	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	110.9280	0.674	6	111.0143	0.430	7	110.6421	0.679	10	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	111.5320	0.000	1	111.0143	0.430	7	110.6421	0.679	10	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,1|N<2>,3|C<4>}	110.1570	0.000	1	110.1570	0.000	1	110.6421	0.679	10	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	109.7740	0.000	1	109.7740	0.000	1	110.6421	0.679	10	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	109.3900	0.000	1	109.3900	0.000	1	110.6421	0.679	10	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H){2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	111.8150	0.000	1	111.8150	0.000	1	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	112.1670	0.000	1	111.6915	0.452	2	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	111.2160	0.000	1	111.6915	0.452	2	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	110.1955	0.849	2	110.1955	0.721	2	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	110.9977	1.345	3	110.9977	1.808	3	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.5360	0.000	1	111.5206	0.647	7	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	111.6847	0.742	6	111.5206	0.647	7	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	110.8073	0.541	3	110.8073	0.293	3	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	111.4300	0.000	1	111.3110	0.028	2	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	111.1920	0.000	1	111.3110	0.028	2	111.2135	0.710	20	111.0595	0.723	32	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,5,6,6]C[6]H)(H)3	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C(C[6]C[5,5,6,6]C[6]H)(H)3	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.8210	0.147	2	110.8210	0.022	2	110.8210	0.022	2	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,5,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[5,5,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	107.8005	0.596	2	107.8005	0.355	2	107.8005	0.355	2	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.7191	0.447	8	110.7191	0.200	8	110.7191	0.200	8	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	111.5360	0.000	1	111.5360	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	112.3290	0.000	1	112.3290	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	110.3090	0.000	1	110.3090	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	113.2400	0.000	1	113.2400	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	112.0640	0.000	1	112.0640	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.3580	0.000	1	113.3580	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	113.3120	0.000	1	113.3120	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	112.0490	0.409	2	112.0490	0.167	2	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	114.3110	0.000	1	114.3110	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	111.6650	0.000	1	111.6650	0.000	1	112.3838	1.229	11	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	110.1210	0.000	1	110.1210	0.000	1	110.8612	4.418	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	113.6750	0.000	1	113.6750	0.000	1	110.8612	4.418	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	109.5660	0.000	1	109.5660	0.000	1	110.8612	4.418	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	108.5710	0.000	1	108.5710	0.000	1	110.8612	4.418	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.3730	0.000	1	112.3730	0.000	1	110.8612	4.418	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O){1|C<4>,3|C<3>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	109.3620	0.000	1	109.3620	0.000	1	110.5422	2.854	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H){2|C<4>,3|H<1>}	111.8070	0.626	2	111.8070	0.392	2	110.5422	2.854	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	111.5290	0.000	1	111.5290	0.000	1	110.5422	2.854	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	108.2060	0.000	1	108.2060	0.000	1	110.5422	2.854	5	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	111.7630	0.000	1	111.7630	0.000	1	108.3670	5.631	4	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	106.2810	0.000	1	106.2810	0.000	1	108.3670	5.631	4	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	107.7120	0.387	2	107.7120	0.150	2	108.3670	5.631	4	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	111.1942	0.657	16	111.1942	0.432	16	111.1942	0.432	16	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	109.7560	0.000	1	109.7560	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	110.8080	0.000	1	110.8080	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	109.2540	0.000	1	110.0040	1.125	2	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	110.7540	0.000	1	110.0040	1.125	2	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	111.3140	0.000	1	111.2523	0.855	4	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	111.8400	0.000	1	111.2523	0.855	4	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.9290	0.000	1	111.2523	0.855	4	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	109.9260	0.000	1	111.2523	0.855	4	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	111.8810	0.000	1	111.8810	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.9645	0.097	2	110.9645	0.009	2	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	109.3230	0.000	1	109.3230	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.1360	0.000	1	111.1360	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.3580	0.000	1	111.3580	0.000	1	110.8006	0.823	14	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	111.0590	0.000	1	111.0590	0.000	1	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	110.4135	0.090	2	111.8835	2.952	4	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	113.3535	0.450	2	111.8835	2.952	4	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	110.0347	1.863	3	110.0347	3.469	3	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|I<1>,2|H<1>}	112.4790	0.000	1	112.4790	0.000	1	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	112.5115	0.757	2	112.6917	0.384	3	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	113.0520	0.000	1	112.6917	0.384	3	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	112.5430	0.000	1	111.3775	2.660	4	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	110.2885	1.795	2	111.3775	2.660	4	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.3900	0.000	1	111.3775	2.660	4	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	114.0770	0.000	1	114.0770	0.000	1	111.6964	2.689	17	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.3740	3.572	2	109.3740	12.761	2	109.7637	6.933	6	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	110.7020	0.000	1	110.7020	0.000	1	109.7637	6.933	6	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.7107	3.218	3	109.7107	10.355	3	109.7637	6.933	6	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	113.1410	0.544	2	113.1410	0.296	2	113.1410	0.296	2	111.0182	2.761	93	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<3>}	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.9570	0.000	1	110.9570	0.000	1	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	110.7600	0.000	1	110.7600	0.000	1	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,2|H<1>}	108.2260	0.000	1	108.2260	0.000	1	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	110.4770	0.345	2	110.4770	0.119	2	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.5170	0.000	1	110.5170	0.000	1	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	112.3275	1.904	2	112.3275	3.626	2	110.7586	2.191	8	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.9555	3.468	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	112.0975	0.680	2	112.0975	0.462	2	112.0975	0.462	2	112.3043	0.359	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	112.3043	0.359	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	112.1760	0.000	1	112.1760	0.000	1	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	110.7110	0.000	1	110.7110	0.000	1	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	116.0070	1.055	5	116.0070	1.112	5	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	116.6088	0.497	4	116.3294	0.251	9	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	116.1060	0.419	5	116.3294	0.251	9	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	116.6110	1.288	2	116.6110	1.660	2	115.7283	3.006	18	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	110.3740	0.000	1	110.3740	0.000	1	111.2390	13.231	3	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	115.2310	0.000	1	115.2310	0.000	1	111.2390	13.231	3	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	108.1120	0.000	1	108.1120	0.000	1	111.2390	13.231	3	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	113.2157	0.223	4	113.0550	0.101	6	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	112.7335	0.218	2	113.0550	0.101	6	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	113.8780	0.000	1	113.8780	0.000	1	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	110.6290	0.000	1	110.6290	0.000	1	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	112.1390	0.000	1	112.1390	0.000	1	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	112.3260	0.000	1	112.3260	0.000	1	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	112.4445	0.879	2	112.5553	0.423	3	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	112.7770	0.000	1	112.5553	0.423	3	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	112.6890	0.000	1	112.6890	0.000	1	112.6898	0.639	14	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3){1|C<4>,2|H<1>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	114.2379	5.468	37	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[4,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[4,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[4,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O){1|O<2>,3|H<1>,4|C<4>}	112.6720	0.000	1	112.6720	0.000	1	112.6720	0.000	1	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H)	C(C[6]C[5,6,6]C[6]H)(Br)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[5,6,6]C[6]H)(Br)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O){8|C<4>}	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	110.9295	0.036	2	110.9295	0.001	2	110.9295	0.001	2	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	113.9210	0.000	1	113.9210	0.000	1	113.9210	0.000	1	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H){1|C<3>,1|H<1>,4|C<4>}	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	112.6530	0.091	2	112.6530	0.008	2	112.9573	0.282	3	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O){2|C<4>,2|O<2>,4|H<1>}	113.5660	0.000	1	113.5660	0.000	1	112.9573	0.282	3	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	114.3040	0.000	1	114.3040	0.000	1	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O){1|H<1>,1|O<2>,3|C<4>}	111.0630	0.000	1	111.0630	0.000	1	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	113.5760	0.000	1	113.5760	0.000	1	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	113.5980	0.000	1	113.5980	0.000	1	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)2(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	113.9410	0.764	2	113.5300	0.438	4	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)2(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	113.1190	0.238	2	113.5300	0.438	4	113.3326	1.099	8	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O){1|H<1>,2|C<3>,5|C<4>}	112.5500	0.000	1	112.5500	0.000	1	109.5900	3.926	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	108.6850	0.235	2	108.6850	0.055	2	109.5900	3.926	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	108.4400	0.000	1	108.4400	0.000	1	109.5900	3.926	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)2(O)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)2(O){1|N<3>,2|C<4>,2|H<1>}	109.5695	1.189	2	109.5695	1.413	2	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	110.3780	0.000	1	110.3780	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	108.5440	0.000	1	108.5440	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.7160	0.000	1	111.4918	2.354	9	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	111.9638	0.631	8	111.4918	2.354	9	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O){2|C<4>,3|H<1>}	110.5230	0.000	1	110.5230	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	113.3290	0.000	1	113.3290	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|H<1>,2|C<4>,2|O<2>}	111.7910	0.000	1	111.7910	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	113.4230	0.000	1	113.4230	0.000	1	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	113.0315	0.228	2	113.0315	0.052	2	111.4008	2.796	19	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<2>,2|C<3>,2|H<1>}	111.3960	0.000	1	112.1137	0.797	4	112.1137	0.797	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.3530	0.923	3	112.1137	0.797	4	112.1137	0.797	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O){1|C<3>,5|C<4>}	109.7220	0.000	1	109.7220	0.000	1	111.6990	7.817	2	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,6|H<1>}	113.6760	0.000	1	113.6760	0.000	1	111.6990	7.817	2	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O){3|C<4>,5|H<1>}	112.8305	0.459	2	112.8305	0.211	2	112.6910	0.096	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,4|H<1>}	112.5515	0.032	2	112.5515	0.001	2	112.6910	0.096	4	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	113.7470	0.000	1	113.7470	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,4|C<4>}	110.6420	0.000	1	111.0247	0.111	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){5|C<4>}	111.2160	0.055	2	111.0247	0.111	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	113.1760	0.000	1	113.1760	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,3|C<4>}	109.6110	0.000	1	109.6110	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	112.4590	0.000	1	112.4590	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.6050	0.000	1	111.1730	4.101	2	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	109.7410	0.000	1	111.1730	4.101	2	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	112.7035	1.729	2	112.7035	2.989	2	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	110.6800	0.000	1	110.6800	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	113.5000	0.000	1	113.5000	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	111.0740	0.000	1	111.0740	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	112.7180	0.000	1	112.7180	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	112.0800	0.000	1	112.3193	1.106	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	111.4080	0.000	1	112.3193	1.106	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	113.4700	0.000	1	112.3193	1.106	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){2|H<1>,3|C<4>}	112.5620	0.000	1	112.5620	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	113.0760	0.000	1	113.0760	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|Cl<1>,1|C<4>,3|H<1>}	111.4900	0.000	1	111.4900	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	110.7780	0.000	1	110.7780	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	112.1657	0.223	3	112.3765	0.211	4	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	113.0090	0.000	1	112.3765	0.211	4	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O){1|C<4>,4|H<1>}	111.8100	0.000	1	111.8100	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	112.8360	0.000	1	112.8360	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	112.7440	0.000	1	112.7440	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.6180	0.000	1	112.6180	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|C<4>,2|C<3>,2|H<1>}	112.1455	0.556	2	112.1455	0.310	2	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	112.0850	0.000	1	112.0850	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.8400	0.000	1	112.2752	0.084	17	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.2375	0.268	15	112.2752	0.084	17	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.2750	0.000	1	112.2752	0.084	17	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	111.4930	0.000	1	111.0279	3.945	32	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	110.3675	2.059	22	111.0279	3.945	32	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	112.6003	0.460	8	111.0279	3.945	32	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|N<4>,2|C<3>,2|H<1>}	112.5110	0.000	1	111.0279	3.945	32	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<3>,2|H<1>}	112.4193	0.416	4	112.4193	0.173	4	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.7313	0.828	4	111.7313	0.686	4	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	111.1670	0.000	1	111.1670	0.000	1	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.8300	1.562	3	112.8300	2.440	3	111.7705	2.113	95	111.7932	2.417	145	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|C<4>,4|H<1>}	113.4970	0.000	1	113.4970	0.000	1	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	111.2890	0.000	1	113.3512	0.997	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	113.9260	0.000	1	113.3512	0.997	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	113.5992	0.637	6	113.3512	0.997	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	112.0485	1.740	4	111.8828	1.748	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	111.4695	0.343	2	111.8828	1.748	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	111.9645	1.603	2	111.8828	1.748	8	112.6688	1.786	17	112.6688	1.786	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	114.7270	0.000	1	114.7270	0.000	1	115.3090	0.677	2	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|H<1>}	115.8910	0.000	1	115.8910	0.000	1	115.3090	0.677	2	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,3|H<1>}	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|C<4>,3|H<1>}	114.2820	0.000	1	114.2820	0.000	1	113.6840	0.201	4	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	113.7070	0.000	1	113.7070	0.000	1	113.6840	0.201	4	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH){1|H<1>,2|C<4>,2|O<2>}	113.3735	0.226	2	113.3735	0.051	2	113.6840	0.201	4	114.2670	0.812	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5380	2.893	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	113.2570	0.697	2	113.2570	0.486	2	113.2570	0.486	2	111.5380	2.893	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.5380	2.893	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C(C[6]C[6]2H)(SC[6a])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C(C[6]C[6]2H)(SC[6a])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	109.6370	0.827	2	109.6370	0.684	2	109.6370	0.684	2	111.5380	2.893	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NN)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(NN)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	111.9875	0.315	2	111.9875	0.099	2	111.9875	0.099	2	109.9633	7.998	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.9633	7.998	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	C(C[6]C[6]2Br)(OC)(H)2	C[6](C[6]C[6]BrC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	C(C[6]C[6]2Br)(OC)(H)2	C[6](C[6]C[6]BrC)(O[6]C[6])(O){1|C<4>,4|H<1>}	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	109.9633	7.998	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	108.2980	0.000	1	108.2980	0.000	1	110.2768	2.033	5	109.7222	3.472	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	111.3685	0.213	2	111.3685	0.045	2	110.2768	2.033	5	109.7222	3.472	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	111.1140	0.000	1	110.1745	1.765	2	110.2768	2.033	5	109.7222	3.472	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.2350	0.000	1	110.1745	1.765	2	110.2768	2.033	5	109.7222	3.472	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	109.7222	3.472	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	111.1140	5.890	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	107.8880	0.000	1	107.8880	0.000	1	107.8880	0.000	1	111.1140	5.890	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	112.9805	0.197	2	112.9805	0.039	2	112.9805	0.039	2	111.1140	5.890	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH){1|N<3>,2|C<4>,2|H<1>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:2:2:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	111.1460	0.407	2	111.1460	0.166	2	111.1783	0.086	3	111.1783	0.086	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|H<1>}	111.2430	0.000	1	111.2430	0.000	1	111.1783	0.086	3	111.1783	0.086	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H){1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[5,6]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){6|C<3>}	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H){5|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	109.2290	0.000	1	109.2290	0.000	1	109.6955	0.435	2	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	110.1620	0.000	1	110.1620	0.000	1	109.6955	0.435	2	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	108.9740	0.000	1	108.9740	0.000	1	110.0065	2.132	2	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	111.0390	0.000	1	111.0390	0.000	1	110.0065	2.132	2	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	109.3629	3.586	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.1340	0.782	3	114.1340	0.612	3	113.8920	0.642	4	113.8920	0.642	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2H)(CC[3]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.1660	0.000	1	113.1660	0.000	1	113.8920	0.642	4	113.8920	0.642	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	109.9400	0.000	1	109.9400	0.000	1	112.2405	10.585	2	112.2405	10.585	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	114.5410	0.000	1	114.5410	0.000	1	112.2405	10.585	2	112.2405	10.585	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.8360	0.000	1	112.6585	2.773	2	111.9895	1.862	4	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	111.4810	0.000	1	112.6585	2.773	2	111.9895	1.862	4	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.6050	0.000	1	110.6050	0.000	1	111.9895	1.862	4	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	112.0360	0.000	1	112.0360	0.000	1	111.9895	1.862	4	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:2:1:	S[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H)	C(C[6]C[6]S[6]H)(NCC)(H)2	C[6](C[6]S[6]CH)(O[6]C[6])(O)	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H){1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(NCC)(H)2	C[6](C[6]S[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>,2|O<1>}	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	112.2975	2.125	6	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:F-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	109.5410	0.000	1	109.5410	0.000	1	110.0570	0.926	4	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHN)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CHN)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	108.9610	0.000	1	108.9610	0.000	1	110.0570	0.926	4	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	110.7840	0.000	1	110.7840	0.000	1	110.0570	0.926	4	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	110.9420	0.000	1	110.9420	0.000	1	110.0570	0.926	4	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	104.6980	0.000	1	104.6980	0.000	1	104.6980	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	114.9130	1.486	2	114.9130	2.209	2	114.9130	2.209	2	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:Cl-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	110.4085	0.115	2	110.4085	0.013	2	110.4085	0.013	2	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|S<4>}	109.4980	0.000	1	109.4980	0.000	1	110.2080	1.008	2	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C(C[6]C[6]2H)(CHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|S<2>}	110.9180	0.000	1	110.9180	0.000	1	110.2080	1.008	2	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<4>}	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:F-1:	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	110.2345	5.656	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	110.1140	0.000	2	110.1140	0.000	2	110.2403	0.053	4	110.2403	0.053	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	110.1490	0.000	1	110.1490	0.000	1	110.2403	0.053	4	110.2403	0.053	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	110.5840	0.000	1	110.5840	0.000	1	110.2403	0.053	4	110.2403	0.053	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.7070	0.000	1	114.7070	0.000	1	114.7070	0.000	1	112.2403	4.649	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(NC[6a]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	112.2403	4.649	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	112.2403	4.649	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	C(C[6]C[5,6]C[6]H)(NHS)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(NHS)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.6100	0.017	2	110.6100	0.000	2	110.6100	0.000	2	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){2|C<4>,6|H<1>}	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.7910	0.000	1	107.7910	0.000	1	110.0129	4.013	7	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CC[5]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	109.1595	0.070	4	109.1595	0.005	4	110.0129	4.013	7	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	113.2390	0.000	1	112.8305	0.334	2	110.0129	4.013	7	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.4220	0.000	1	112.8305	0.334	2	110.0129	4.013	7	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|H<1>,4|C<4>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H)	C(C[6]C[6]N[6]H)(SNi2)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(SNi2)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H){1|H<1>,3|C<4>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	109.8818	3.405	14	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(NHS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(NHS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO){2|H<1>,3|C<4>}	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.1815	0.216	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|H<1>,3|C<4>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	113.1815	0.216	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)2(CCC)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[6]C[5,6]CH)2(CCC){1|N<3>,2|C<4>,2|H<1>}	109.7565	0.182	2	109.7565	0.033	2	109.7565	0.033	2	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.5673	0.497	3	113.5673	0.247	3	113.7473	0.347	6	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.9273	0.724	3	113.9273	0.524	3	113.7473	0.347	6	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	112.4158	2.377	4	112.4158	5.649	4	112.1748	4.527	5	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	111.2110	0.000	1	111.2110	0.000	1	112.1748	4.527	5	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:B[5]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C){1|C<4>,1|S<4>,2|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	112.4782	4.084	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	110.5546	1.975	5	110.5546	3.900	5	110.5546	3.900	5	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	107.9930	0.000	1	107.9930	0.000	1	108.5010	0.523	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	109.3290	0.000	1	109.3290	0.000	1	108.5010	0.523	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	108.1810	0.000	1	108.1810	0.000	1	108.5010	0.523	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	110.2470	0.000	1	109.9960	0.126	2	110.6973	1.539	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)2(O){2|H<1>,3|C<4>}	109.7450	0.000	1	109.9960	0.126	2	110.6973	1.539	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.1000	0.000	1	112.1000	0.000	1	110.6973	1.539	3	110.0335	2.945	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:2:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H){1|C<4>,4|H<1>}	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH){4|H<1>,6|C<3>}	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:3:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CHH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CHH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:3:2:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:3:2:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:O-2:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CCH)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	111.6575	0.544	2	111.6575	0.296	2	111.6575	0.296	2	111.6575	0.296	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	112.0320	0.000	1	112.0320	0.000	1	112.0320	0.000	1	111.2775	1.139	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	111.2775	1.139	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	109.0065	0.091	2	109.0065	0.008	2	109.0065	0.008	2	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	111.5230	0.000	1	111.5230	0.000	1	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,2|C<3>}	110.5835	0.284	2	110.5835	0.080	2	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	110.4350	0.277	3	110.4350	0.077	3	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	107.5170	0.000	1	107.5170	0.000	1	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CHHN)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	110.1940	0.000	1	110.1940	0.000	1	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>}	109.5640	0.000	1	109.5640	0.000	1	110.1411	1.252	9	109.9348	1.213	11	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	113.4445	0.387	2	113.4445	0.150	2	113.4445	0.150	2	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	C(C[6]C[6]2Br)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	C(C[6]C[6]2Br)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl)	C(C[6]C[6]2Cl)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl){1|O<2>,1|S<4>,3|C<3>}	C(C[6]C[6]2Cl)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O){1|H<1>,1|N<3>,3|C<3>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	110.8830	0.000	1	110.8830	0.000	1	110.2442	0.873	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2000	0.000	1	111.2000	0.000	1	110.2442	0.873	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHOO)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CHOO)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.3340	0.000	1	109.3340	0.000	1	110.2442	0.873	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.5600	0.000	1	109.5600	0.000	1	110.2442	0.873	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	107.8380	0.000	1	107.8380	0.000	1	110.5505	3.650	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CClHH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C(C[6]C[6]2H)(CClHH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	112.0930	0.000	1	112.0930	0.000	1	110.5505	3.650	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C(C[6]C[6]2H)(CHHO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	110.6220	0.000	1	111.1355	0.527	2	110.5505	3.650	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C(C[6]C[6]2H)(CHHO)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	111.6490	0.000	1	111.1355	0.527	2	110.5505	3.650	4	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.2530	0.000	1	110.2530	0.000	1	109.7240	1.017	3	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.4595	1.271	2	109.4595	1.615	2	109.7240	1.017	3	111.0225	3.077	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:2:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6]){2|C<3>,2|C<4>,3|H<1>}	108.9075	0.667	2	108.9075	0.445	2	108.9075	0.445	2	109.6797	2.011	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	111.2240	0.000	1	111.2240	0.000	1	111.2240	0.000	1	109.6797	2.011	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	114.4425	0.047	2	114.4425	0.002	2	114.4425	0.002	2	114.4425	0.002	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	110.3015	4.545	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	110.3015	4.545	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H){1|Si<5>,2|N<2>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	110.3015	4.545	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6]-3:C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3){2|H<1>,4|C<3>}	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	110.3015	4.545	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	111.2820	0.000	1	110.6025	0.923	2	111.2066	0.576	5	111.2066	0.576	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	109.9230	0.000	1	110.6025	0.923	2	111.2066	0.576	5	111.2066	0.576	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	111.9390	0.000	1	111.9390	0.000	1	111.2066	0.576	5	111.2066	0.576	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	111.4445	0.046	2	111.4445	0.002	2	111.2066	0.576	5	111.2066	0.576	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	112.2960	0.000	1	112.2960	0.000	1	111.0973	1.080	3	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.4980	0.071	2	110.4980	0.005	2	111.0973	1.080	3	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	112.9165	0.847	4	112.3810	1.198	6	112.3810	1.198	6	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	111.3100	0.631	2	112.3810	1.198	6	112.3810	1.198	6	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H)	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H){3|C<4>}	C(C[5]C[5]2Ir)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.8220	0.000	1	109.8220	0.000	1	111.4380	5.223	2	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	113.0540	0.000	1	113.0540	0.000	1	111.4380	5.223	2	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){4|C<4>}	110.2670	0.000	1	110.2670	0.000	1	109.4640	1.290	2	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O){1|C<3>,1|C<4>,2|H<1>}	108.6610	0.000	1	108.6610	0.000	1	109.4640	1.290	2	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:In-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C(C[6]C[6]2H)(InIIP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(InIIP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C(C[6]C[6]2H)(NCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	111.2005	2.579	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){2|H<1>,3|C<4>}	113.0290	0.000	1	113.0290	0.000	1	113.0290	0.000	1	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	112.0460	0.000	1	112.0460	0.000	1	113.8357	2.775	3	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	115.3410	0.000	1	115.3410	0.000	1	113.8357	2.775	3	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	114.1200	0.000	1	114.1200	0.000	1	113.8357	2.775	3	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	117.2215	0.525	2	117.2215	0.276	2	117.2215	0.276	2	113.7382	7.455	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	111.8820	0.000	1	111.8820	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	112.6960	0.000	1	112.6960	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	109.8690	0.000	1	109.8690	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	111.7990	0.000	1	111.7990	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	113.3780	0.000	1	113.3780	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	112.1160	0.000	1	112.1160	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	113.5400	0.000	1	113.5400	0.000	1	112.1829	1.522	7	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	115.1840	0.000	1	115.1840	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	115.5190	0.000	1	115.5190	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	114.7700	0.000	1	114.7700	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CBHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CBHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	108.7770	0.000	1	108.7770	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.0960	0.000	1	110.0960	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	114.8700	0.000	1	114.8700	0.000	1	113.2027	8.753	6	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	115.2380	0.000	1	112.9385	10.575	2	113.0750	4.152	4	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	110.6390	0.000	1	112.9385	10.575	2	113.0750	4.152	4	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:3:4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	113.2115	1.344	2	113.2115	1.807	2	113.0750	4.152	4	113.0553	6.059	20	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){3|H<1>,5|C<4>}	115.9740	0.000	1	115.5103	0.283	3	115.5103	0.283	3	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	115.2785	0.493	2	115.5103	0.283	3	115.5103	0.283	3	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	114.2310	0.000	1	114.2310	0.000	1	114.2310	0.000	1	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	108.0340	0.000	2	108.0340	0.000	2	108.0340	0.000	2	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	112.8950	0.000	1	112.8950	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	111.6850	0.000	1	111.6850	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.8240	0.000	1	111.9505	1.526	2	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	111.0770	0.000	1	111.9505	1.526	2	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	111.5300	0.000	1	111.5300	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.8990	0.000	1	109.8720	3.966	6	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	111.7930	0.751	2	109.8720	3.966	6	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	108.2490	1.210	3	109.8720	3.966	6	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	111.7890	0.000	1	112.2957	0.193	3	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	112.5490	0.010	2	112.2957	0.193	3	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	113.8710	0.000	1	113.8710	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.2745	1.603	2	112.2745	2.570	2	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	114.0430	0.000	1	114.0430	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|I<1>,3|H<1>}	114.7000	0.000	1	114.7000	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	114.4730	0.000	1	114.4730	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.2845	0.220	2	112.5983	0.320	3	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<4>,2|C<3>,2|H<1>}	113.2260	0.000	1	112.5983	0.320	3	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CClHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CClHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.5935	0.364	2	112.5935	0.133	2	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	108.1300	0.000	1	109.9382	2.966	5	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	112.6230	0.000	1	109.9382	2.966	5	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	109.6460	0.752	3	109.9382	2.966	5	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)2(O){1|N<4>,2|C<3>,2|H<1>}	112.8790	0.000	1	112.8790	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.8810	0.000	1	110.8810	0.000	1	111.6937	3.510	32	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	112.8970	0.000	2	113.4787	1.015	3	113.4787	1.015	3	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	114.6420	0.000	1	113.4787	1.015	3	113.4787	1.015	3	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C(C[6]C[6]2H)(PFeCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PFeCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|H<1>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	111.9943	4.694	43	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	114.6445	0.087	2	114.6445	0.008	2	114.6445	0.008	2	114.6445	0.008	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	113.4980	0.000	1	113.4980	0.000	1	113.4980	0.000	1	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	114.0540	0.000	1	114.0540	0.000	1	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	114.4835	0.527	2	114.1107	0.289	4	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.7380	0.187	2	114.1107	0.289	4	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	112.5700	0.000	1	112.5700	0.000	1	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.5642	0.808	5	113.5642	0.652	5	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	114.7420	0.000	1	114.7420	0.000	1	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.7250	0.000	1	113.7250	0.000	1	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.8610	0.000	1	113.8610	0.000	1	113.8011	0.509	14	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>}	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	113.0220	0.000	1	113.0220	0.000	1	113.7698	2.889	5	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	115.8990	0.000	1	115.8990	0.000	1	113.7698	2.889	5	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|C<3>,3|H<1>}	112.1930	0.000	1	112.3270	0.036	2	113.7698	2.889	5	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,3|H<1>}	112.4610	0.000	1	112.3270	0.036	2	113.7698	2.889	5	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|N<3>,2|C<3>,2|H<1>}	115.2740	0.000	1	115.2740	0.000	1	113.7698	2.889	5	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	112.0800	4.801	2	112.7030	12.690	3	112.7030	12.690	3	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	113.9490	0.000	1	112.7030	12.690	3	112.7030	12.690	3	113.3596	3.800	25	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S-4:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CF3)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CF3)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,4|H<1>}	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	110.9370	0.228	2	110.9370	0.052	2	109.5045	2.116	6	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	108.4390	0.000	1	108.4390	0.000	1	109.5045	2.116	6	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	108.1565	0.921	2	108.1565	0.849	2	109.5045	2.116	6	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	110.4010	0.000	1	110.4010	0.000	1	109.5045	2.116	6	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:S-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]2H)(CCHH)(SC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(SC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.7779	6.407	9	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO){3|C<4>}	113.2500	0.918	2	113.2500	0.842	2	113.2500	0.842	2	113.2500	0.842	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	109.2570	0.000	2	109.2570	0.000	2	109.2570	0.000	2	109.2570	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCHN)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	113.2120	0.000	1	113.2120	0.000	1	111.2443	4.000	4	111.2443	4.000	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.8490	0.000	1	110.8490	0.000	1	111.2443	4.000	4	111.2443	4.000	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	111.2443	4.000	4	111.2443	4.000	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	108.6230	0.000	1	108.6230	0.000	1	111.2443	4.000	4	111.2443	4.000	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	112.8817	0.406	3	112.8817	0.165	3	112.8817	0.165	3	114.5863	11.732	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	114.5863	11.732	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	111.8980	0.239	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.8980	0.239	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|O<2>}	115.1360	0.000	1	115.1360	0.000	1	115.1360	0.000	1	115.1360	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:3:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	111.8780	0.000	2	112.3932	0.355	4	113.2473	1.791	7	113.2473	1.791	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.9085	0.050	2	112.3932	0.355	4	113.2473	1.791	7	113.2473	1.791	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	115.0780	0.000	2	115.0780	0.000	2	113.2473	1.791	7	113.2473	1.791	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	113.0020	0.000	1	113.0020	0.000	1	113.2473	1.791	7	113.2473	1.791	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|H<1>}	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:2:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	109.3990	0.000	1	109.3990	0.000	1	109.4815	0.014	2	109.4815	0.014	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:2:	4:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.4815	0.014	2	109.4815	0.014	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:2:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	111.3590	1.194	2	111.3590	1.425	2	111.0903	0.929	3	111.0903	0.929	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:2:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<4>,4|H<1>}	110.5530	0.000	1	110.5530	0.000	1	111.0903	0.929	3	111.0903	0.929	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:3:3:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(COO)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	2:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	C(C[6]C[6]2H)(CCHH)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	109.8375	0.897	2	109.8375	0.805	2	109.8375	0.805	2	109.8375	0.805	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	111.8945	0.337	2	111.8945	0.114	2	112.0460	0.291	4	112.0460	0.291	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	111.6200	0.000	1	111.6200	0.000	1	112.0460	0.291	4	112.0460	0.291	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	112.7750	0.000	1	112.7750	0.000	1	112.0460	0.291	4	112.0460	0.291	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	114.3390	0.000	1	114.3390	0.000	1	112.3407	1.842	4	112.3407	1.842	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	111.6140	0.426	2	111.6140	0.181	2	112.3407	1.842	4	112.3407	1.842	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	111.7960	0.000	1	111.7960	0.000	1	112.3407	1.842	4	112.3407	1.842	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	111.0095	1.020	2	111.0095	1.041	2	111.0095	1.041	2	112.4350	1.727	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	114.4980	0.000	1	114.4980	0.000	1	113.1800	1.007	4	112.4350	1.727	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.9125	0.726	2	112.9125	0.527	2	113.1800	1.007	4	112.4350	1.727	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	112.3970	0.000	1	112.3970	0.000	1	113.1800	1.007	4	112.4350	1.727	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.4350	1.727	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	113.9875	2.106	2	113.9875	4.437	2	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	113.8180	0.000	1	113.8180	0.000	1	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	114.9200	2.359	2	114.9200	5.564	2	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	113.1290	0.000	1	113.1290	0.000	1	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	114.6535	2.183	4	112.9357	10.016	6	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	109.5000	0.607	2	112.9357	10.016	6	113.5313	6.066	12	113.5313	6.066	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	113.6413	2.578	3	113.6413	6.646	3	115.2144	5.565	7	115.2530	4.782	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	116.6420	0.000	1	116.6420	0.000	1	115.2144	5.565	7	115.2530	4.782	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	114.1550	0.000	1	116.3117	3.512	3	115.2144	5.565	7	115.2530	4.782	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	117.3900	0.215	2	116.3117	3.512	3	115.2144	5.565	7	115.2530	4.782	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	115.5230	0.000	1	115.5230	0.000	1	115.5230	0.000	1	115.2530	4.782	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH){1|C<4>,2|C<3>,2|H<1>}	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.4275	0.100	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.4275	0.100	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:2:	3:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH){4|C<3>,4|H<1>}	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:2:	3:4:1:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	110.5000	0.301	3	110.5000	0.091	3	110.5000	0.091	3	110.5000	0.091	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	110.6765	0.559	2	110.6765	0.313	2	110.6765	0.313	2	111.8686	1.612	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	111.8686	1.612	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-2:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(CN)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(CN)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|H<1>}	113.1460	0.000	2	113.1460	0.000	2	113.1460	0.000	2	111.8686	1.612	5	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:3:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|W<7>,3|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:3:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:N-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	114.9820	0.045	2	114.9820	0.002	2	114.9820	0.002	2	114.9820	0.002	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C(C[6]C[6]2H)(CH3)3	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.7750	0.000	1	111.7750	0.000	1	111.3490	0.313	3	110.8053	1.392	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C(C[6]C[6]2H)(CH3)3	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.1360	0.595	2	111.1360	0.354	2	111.3490	0.313	3	110.8053	1.392	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C(C[6]C[6]2H)(CH3)3	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	110.8053	1.392	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:2:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(O[6]C[6])(O)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.3510	0.739	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.3510	0.739	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	112.7970	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	112.0540	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	113.4150	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	113.0485	1.624	2	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	112.7710	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|N<2>,3|C<4>}	113.3867	0.591	3	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	112.0420	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<4>}	112.5070	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	113.1090	0.000	1	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	113.2545	1.542	2	112.9615	0.662	14	112.9615	0.662	14	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	112.7575	0.194	2	112.7435	0.020	4	112.7435	0.020	4	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	112.7295	0.151	2	112.7435	0.020	4	112.7435	0.020	4	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	112.2090	0.000	1	112.2090	0.000	1	111.8130	1.777	3	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	112.9030	0.000	1	112.9030	0.000	1	111.8130	1.777	3	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	110.3270	0.000	1	110.3270	0.000	1	111.8130	1.777	3	112.7559	0.774	21	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC){2|C<4>,3|H<1>}	113.2230	0.000	1	113.2230	0.000	1	113.2230	0.000	1	113.1465	0.012	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO){1|C<3>,1|C<4>,2|H<1>}	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	113.1465	0.012	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	113.1500	0.164	2	113.1500	0.027	2	113.1500	0.027	2	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	112.3325	0.279	2	112.3325	0.078	2	113.9730	5.293	5	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	116.4690	0.000	1	116.4880	0.001	2	113.9730	5.293	5	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	116.5070	0.000	1	116.4880	0.001	2	113.9730	5.293	5	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	112.2240	0.000	1	112.2240	0.000	1	113.9730	5.293	5	113.4718	3.733	8	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	3:4:3:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:N-3:H-1:	N[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6](N[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6](N[6]C[6,6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	3:4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O){2|C<4>,2|O<2>,3|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O){1|C<4>,2|C<3>,3|O<2>}	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	109.7356	0.494	5	109.7356	0.244	5	110.2519	0.501	9	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){2|H<1>,3|C<4>}	110.9500	0.000	1	110.9500	0.000	1	110.2519	0.501	9	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,2|H<1>}	110.8370	0.000	1	110.8370	0.000	1	110.2519	0.501	9	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	110.9010	0.167	2	110.9010	0.028	2	110.2519	0.501	9	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	108.2060	0.000	1	108.2060	0.000	1	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>}	110.6500	0.000	1	110.6500	0.000	1	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	109.3262	0.449	4	109.3154	0.151	5	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	109.2720	0.000	1	109.3154	0.151	5	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.7363	1.281	3	110.7363	1.642	3	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<4>}	112.0240	0.000	1	112.0240	0.000	1	109.9696	1.559	11	110.0856	1.228	22	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	110.6385	0.305	2	111.7802	2.067	4	111.7802	2.067	4	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	113.5910	0.000	1	111.7802	2.067	4	111.7802	2.067	4	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	112.2530	0.000	1	111.7802	2.067	4	111.7802	2.067	4	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	110.8850	0.000	1	110.8850	0.000	1	111.0465	0.125	6	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	111.4090	0.344	2	111.0788	0.148	5	111.0465	0.125	6	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	110.9480	0.249	2	111.0788	0.148	5	111.0465	0.125	6	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	110.6800	0.000	1	111.0788	0.148	5	111.0465	0.125	6	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	111.0853	1.174	12	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	106.4650	0.000	1	106.4650	0.000	1	107.8313	1.855	3	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	108.5145	0.954	2	108.5145	0.910	2	107.8313	1.855	3	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,2|C<4>}	106.3820	0.382	2	106.3820	0.146	2	106.3820	0.146	2	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	109.3860	0.990	2	109.2657	0.533	3	109.2657	0.533	3	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	109.0250	0.000	1	109.2657	0.533	3	109.2657	0.533	3	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	108.1947	0.832	3	108.1947	0.693	3	108.4828	1.231	6	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	109.5405	0.848	2	109.5405	0.719	2	108.4828	1.231	6	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.2320	0.000	1	107.2320	0.000	1	108.4828	1.231	6	108.4791	2.202	17	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:2:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	114.2805	0.238	2	114.2805	0.057	2	114.2805	0.057	2	114.2805	0.057	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O){1|H<1>,4|C<4>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	110.8630	0.000	1	110.8630	0.000	1	108.9767	3.038	3	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.0335	0.859	2	108.0335	0.738	2	108.9767	3.038	3	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(H)3	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O){1|C<3>,5|C<4>}	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|N<3>,3|C<4>,4|H<1>}	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	110.5217	0.617	7	110.5217	0.381	7	110.2573	0.630	9	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	109.8580	0.000	1	109.8580	0.000	1	110.2573	0.630	9	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8060	0.000	1	108.8060	0.000	1	110.2573	0.630	9	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	110.6786	2.957	16	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	112.3523	0.334	7	112.3523	0.112	7	112.3523	0.112	7	112.3523	0.112	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:2:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	C(C[6]C[3x6]C[6]O)(OC)(H)2	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(OC)(H)2	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	109.0303	7.734	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	109.0303	7.734	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	109.0303	7.734	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:3:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[3x6]C[6]O)(CCH)(H)2	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[6]O)(CCH)(H)2	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	106.8120	1.175	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	106.1870	0.075	2	106.1870	0.006	2	106.1870	0.006	2	106.8120	1.175	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	C(C[6]C[6]2O)(NHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(NHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O){1|C<3>,1|O<2>,2|H<1>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O){2|C<4>,3|H<1>}	107.2840	0.000	1	107.5597	0.342	4	107.5597	0.342	4	107.5597	0.342	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6]C[6,6]CC)(O[6]C[6])(O){2|C<4>,3|H<1>}	107.6517	0.680	3	107.5597	0.342	4	107.5597	0.342	4	107.5597	0.342	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	C(C[6]C[6]2O)(CC[4]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	C(C[6]C[6]2O)(CC[4]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	110.9915	4.535	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	110.9915	4.535	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	C(C[6]C[6]2O)(SC[6a]OO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(SC[6a]OO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.2415	0.086	2	111.2415	0.007	2	111.2415	0.007	2	110.9915	4.535	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:4:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	109.6250	0.000	1	109.6250	0.000	1	109.2900	0.224	2	109.2900	0.224	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:4:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	108.9550	0.000	1	108.9550	0.000	1	109.2900	0.224	2	109.2900	0.224	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:2:	4:4:4:2:	4:2:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	C(C[6]C[6]2O)(CH3)2(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	C(C[6]C[6]2O)(CH3)2(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(O){1|C<4>,4|H<1>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|C<4>,1|H<1>,2|C<3>}	107.0135	0.627	2	107.0135	0.393	2	109.0659	4.715	7	109.0659	4.715	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	108.9280	0.000	1	108.9280	0.000	1	109.0659	4.715	7	109.0659	4.715	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	111.9395	0.404	2	111.9395	0.163	2	109.0659	4.715	7	109.0659	4.715	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,2|C<3>}	108.3135	1.282	2	108.3135	1.643	2	109.0659	4.715	7	109.0659	4.715	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CN)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CN)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(O[6]C[5,6])(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	106.5970	0.000	1	106.5970	0.000	1	107.6260	2.118	2	107.6260	2.118	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|H<1>,3|C<3>}	108.6550	0.000	1	108.6550	0.000	1	107.6260	2.118	2	107.6260	2.118	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	108.0665	0.851	2	108.0665	0.724	2	108.5687	1.118	3	108.5687	1.118	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	109.5730	0.000	1	109.5730	0.000	1	108.5687	1.118	3	108.5687	1.118	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	110.1240	0.116	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.1240	0.116	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	2:4:3:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH){1|H<1>,1|O<2>,2|C<3>}	112.0185	0.351	2	112.0185	0.124	2	112.0185	0.124	2	112.0185	0.124	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.4527	0.398	3	111.4527	0.159	3	111.4527	0.159	3	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	109.2650	0.000	1	109.2650	0.000	1	108.5580	1.000	2	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H){1|H<1>,4|C<4>}	107.8510	0.000	1	107.8510	0.000	1	108.5580	1.000	2	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	C(C[6]C[6]2N)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	110.1975	3.456	2	110.1975	11.941	2	110.1975	11.941	2	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	C(C[6]C[6]2N)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	C(C[6]C[6]2N)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){2|C<3>,2|H<1>}	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.9298	5.068	10	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	3:4:2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:N-2:	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.9717	0.163	3	106.8847	0.048	4	106.8847	0.048	4	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.6240	0.000	1	106.8847	0.048	4	106.8847	0.048	4	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.2430	0.000	1	107.2430	0.000	1	106.5067	0.936	3	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	106.8660	0.000	1	106.8660	0.000	1	106.5067	0.936	3	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){2|C<3>,2|H<1>}	105.4110	0.000	1	105.4110	0.000	1	106.5067	0.936	3	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	108.3345	1.303	2	108.3345	1.698	2	108.3345	1.698	2	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	107.5440	1.500	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	111.9735	2.411	2	111.9735	5.811	2	111.9735	5.811	2	111.9735	5.811	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	108.2580	0.000	1	108.2580	0.000	1	109.6735	4.007	2	109.6735	4.007	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	111.0890	0.000	1	111.0890	0.000	1	109.6735	4.007	2	109.6735	4.007	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	108.9820	0.000	1	108.9820	0.000	1	108.2765	0.995	2	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.5710	0.000	1	107.5710	0.000	1	108.2765	0.995	2	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O){1|H<1>,2|C<4>,3|C<3>}	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,6|H<1>}	109.8300	0.397	2	109.8300	0.158	2	110.0360	0.206	3	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	110.4480	0.000	1	110.4480	0.000	1	110.0360	0.206	3	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	109.1080	0.000	1	109.1080	0.000	1	108.5150	1.648	6	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	109.9480	0.000	1	109.9480	0.000	1	108.5150	1.648	6	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.5535	1.114	2	108.5535	1.240	2	108.5150	1.648	6	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	108.5550	0.000	1	108.5550	0.000	1	108.5150	1.648	6	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	106.3720	0.000	1	106.3720	0.000	1	108.5150	1.648	6	108.5263	2.769	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	112.6280	0.000	1	112.6280	0.000	1	112.9830	0.252	2	113.2767	0.385	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	113.3380	0.000	1	113.3380	0.000	1	112.9830	0.252	2	113.2767	0.385	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.2767	0.385	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	109.8850	19.109	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	109.8850	19.109	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO){4|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|H<1>,3|C<3>}	110.4300	0.122	2	110.4300	0.015	2	110.4300	0.015	2	110.4300	0.015	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	104.7010	0.000	1	104.7010	0.000	1	107.4025	14.596	2	107.4025	14.596	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	110.1040	0.000	1	110.1040	0.000	1	107.4025	14.596	2	107.4025	14.596	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	108.3700	0.000	1	108.3700	0.000	1	109.4075	2.153	2	110.7330	6.347	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	110.4450	0.000	1	110.4450	0.000	1	109.4075	2.153	2	110.7330	6.347	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	110.7330	6.347	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	108.8473	8.987	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O){2|H<1>,3|C<4>}	105.6970	0.000	1	105.6970	0.000	1	107.4385	6.066	2	108.8473	8.987	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)2(O){2|H<1>,3|C<4>}	109.1800	0.000	1	109.1800	0.000	1	107.4385	6.066	2	108.8473	8.987	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:3:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	C(C[6]C[6]2N)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	107.2700	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	2:4:3:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	C(C[6]C[6]2N)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	C(C[6]C[6]2N)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H){1|H<1>,3|C<3>}	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	105.5687	1.603	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	104.5710	0.000	1	104.5710	0.000	1	104.8565	0.163	2	105.5687	1.603	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	105.1420	0.000	1	105.1420	0.000	1	104.8565	0.163	2	105.5687	1.603	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	108.0120	0.000	1	108.0120	0.000	1	108.9810	1.902	3	108.9810	1.902	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|I<1>,3|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.9810	1.902	3	108.9810	1.902	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	110.5600	0.000	1	110.5600	0.000	1	108.9810	1.902	3	108.9810	1.902	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:Si-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O){1|C<4>,2|C<3>,3|H<1>}	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	105.1370	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	3:4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	111.5910	3.539	3	111.5910	12.526	3	111.5910	12.526	3	111.5910	12.526	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2{1|S<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	107.6620	3.094	2	107.6620	9.575	2	108.2113	5.693	3	108.2113	5.693	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3){4|C<3>}	C(C[6]C[6]2C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	109.3100	0.000	1	109.3100	0.000	1	108.2113	5.693	3	108.2113	5.693	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[3]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C(C[6]C[3]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[3]C[6]C)(H){1|O<2>,4|C<4>,6|H<1>}	108.9688	0.782	4	108.9688	0.611	4	108.9688	0.611	4	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[5]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H)	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[5]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]C)(H){1|Re<8>,4|H<1>,6|C<4>}	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){2|H<1>,4|C<3>}	108.2780	1.896	12	108.2780	3.593	12	108.2780	3.593	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2{1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	108.9590	0.676	2	108.9590	0.457	2	108.9590	0.457	2	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	109.5837	0.749	6	109.5837	0.561	6	109.7280	0.900	9	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){2|C<4>,2|H<1>,2|N<3>}	109.6820	1.830	2	109.6820	3.349	2	109.7280	0.900	9	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H){1|N<3>,2|C<3>,4|H<1>}	110.6860	0.000	1	110.6860	0.000	1	109.7280	0.900	9	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O){1|H<1>,1|O<2>,2|C<4>}	106.4060	1.993	2	106.4060	3.971	2	108.0481	3.802	10	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	108.9715	1.457	2	108.9715	2.124	2	108.0481	3.802	10	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	108.2045	2.151	4	108.2045	4.625	4	108.0481	3.802	10	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	108.4540	2.594	2	108.4540	6.727	2	108.0481	3.802	10	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,4|C<3>}	107.0315	1.911	2	107.0315	3.653	2	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	107.0875	2.583	2	107.3662	2.990	4	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	107.6450	1.410	2	107.3662	2.990	4	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	109.4865	0.586	2	109.4865	0.344	2	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{1|C<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|H<1>}	108.1020	2.308	2	108.7793	5.621	4	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	109.4565	3.115	2	108.7793	5.621	4	108.1348	3.631	12	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	C(C[6]C[6]2C)(H)2(I)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2C)(H)2(I)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(H){1|N<3>,2|C<3>,4|H<1>}	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	108.6770	3.285	51	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,1|N<2>,2|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO){2|C<4>,2|H<1>}	111.2110	2.496	2	111.2110	6.230	2	111.2110	6.230	2	111.2110	6.230	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2{1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	107.1577	2.138	4	107.1577	4.570	4	107.7626	4.235	7	107.7626	4.235	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	109.4540	0.000	1	109.4540	0.000	1	107.7626	4.235	7	107.7626	4.235	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2{1|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|H<1>,3|C<3>}	108.1265	2.666	2	108.1265	7.110	2	107.7626	4.235	7	107.7626	4.235	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2{1|In<4>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	107.0920	2.076	2	107.0920	4.310	2	107.0920	4.310	2	107.6282	7.169	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]In[6])(OC)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2{1|In<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	108.1645	4.006	2	108.1645	16.046	2	108.1645	16.046	2	107.6282	7.169	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:2:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]N[6])(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2{1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]N[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	110.0580	1.731	2	110.0580	2.996	2	110.0580	2.996	2	110.0580	2.996	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3){1|S<4>,3|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	108.3717	0.192	3	108.3717	0.037	3	108.3717	0.037	3	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	108.2755	0.315	2	108.2755	0.099	2	108.2755	0.099	2	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.2685	5.895	2	110.2685	34.753	2	109.2235	5.799	10	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.4695	1.793	2	109.7285	3.303	4	109.2235	5.799	10	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(CH3)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	109.9875	2.535	2	109.7285	3.303	4	109.2235	5.799	10	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	108.1960	0.182	4	108.1960	0.033	4	109.2235	5.799	10	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	108.6970	2.585	4	108.6970	6.680	4	108.6970	6.680	4	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	C[6](C[5,6]C[3,5]O[5,6]O)(C[6]N[6]O)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	108.1685	2.073	2	108.1685	4.295	2	108.1395	2.408	4	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	C[6](C[5,6]O[5,6]C[5]O)(C[6]N[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	108.1105	1.710	2	108.1105	2.926	2	108.1395	2.408	4	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	108.1405	2.100	4	108.1405	4.409	4	107.8575	2.305	11	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	107.4595	0.894	2	107.6092	1.801	6	107.8575	2.305	11	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	107.1660	1.090	2	107.6092	1.801	6	107.8575	2.305	11	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	108.2020	2.424	2	107.6092	1.801	6	107.8575	2.305	11	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	108.2150	0.000	1	108.2150	0.000	1	107.8575	2.305	11	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	109.7020	0.000	1	109.7020	0.000	1	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	106.8914	1.117	8	106.8914	1.248	8	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	107.6030	1.472	2	107.1427	4.218	53	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	106.3378	3.405	10	107.1427	4.218	53	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	107.2446	1.762	32	107.1427	4.218	53	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	107.5723	0.983	9	107.1427	4.218	53	107.1515	3.855	62	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	109.0620	0.000	1	109.0620	0.000	1	108.0725	1.958	2	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH)	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH){3|C<4>}	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	107.0830	0.000	1	107.0830	0.000	1	108.0725	1.958	2	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.1035	1.234	2	107.7892	2.688	4	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	107.4750	2.479	2	107.7892	2.688	4	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	108.7405	0.525	2	108.7405	0.276	2	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	108.8980	0.000	1	108.8980	0.000	1	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	107.0635	0.497	4	107.0635	0.247	4	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	108.1610	0.594	2	108.1610	0.353	2	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	110.6890	0.583	2	110.6890	0.339	2	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	109.1041	0.787	9	109.1041	0.619	9	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<4>,1|I<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]I)(H){1|O<2>,2|C<4>,2|H<1>}	108.6855	0.534	4	108.6855	0.285	4	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<2>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){2|C<3>,2|H<1>}	110.3180	1.249	2	110.3180	1.559	2	108.6935	1.600	30	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(I)	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(I){1|O<2>,2|C<4>,2|H<1>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	107.2395	2.611	6	107.2395	6.816	6	108.5609	4.769	16	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){1|O<2>,3|C<4>,3|H<1>}	109.5080	1.536	2	109.5080	2.359	2	108.5609	4.769	16	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	109.7575	2.549	2	109.7575	6.498	2	108.5609	4.769	16	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.9188	1.489	4	108.9188	2.218	4	108.5609	4.769	16	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){2|C<4>,2|H<1>,3|O<2>}	109.6655	1.964	2	109.6655	3.856	2	108.5609	4.769	16	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	108.0880	3.244	2	108.0880	10.525	2	107.2832	4.729	4	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]S)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(N[6]C[6]S)(O){1|C<3>,1|C<4>,3|H<1>}	106.4785	1.036	2	106.4785	1.073	2	107.2832	4.729	4	107.9215	3.776	150	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	107.8158	0.602	4	108.1413	0.648	6	108.4778	1.352	10	108.5990	1.437	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	108.7925	0.940	2	108.1413	0.648	6	108.4778	1.352	10	108.5990	1.437	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	108.9825	1.552	4	108.9825	2.410	4	108.4778	1.352	10	108.5990	1.437	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC){1|C<4>,1|O<1>,2|H<1>}	109.2587	1.686	3	109.2587	2.841	3	109.2587	2.841	3	108.5990	1.437	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|S<4>,4|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH){1|C<4>,2|C<3>,2|H<1>}	108.2155	0.723	2	108.2155	0.523	2	108.2155	0.523	2	108.5990	1.437	15	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2{2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO){1|C<4>,2|H<1>,2|O<2>}	109.7750	0.363	2	109.7750	0.132	2	109.7750	0.132	2	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO){1|C<4>,2|H<1>}	110.6595	1.062	4	110.6595	1.127	4	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	112.0835	5.276	2	112.0835	27.833	2	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	110.4100	0.000	1	110.4100	0.000	1	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	109.4430	0.000	1	109.4430	0.000	1	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	110.0195	1.203	2	110.2424	0.663	16	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	110.2742	0.803	14	110.2424	0.663	16	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	110.7540	0.059	2	110.7540	0.004	2	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	109.4050	1.311	2	109.6912	1.082	6	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CRuH){1|C<4>,4|H<1>}	109.8342	1.072	4	109.6912	1.082	6	110.3185	1.835	32	110.2865	1.745	34	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.4600	6.034	2	113.4600	36.415	2	111.9620	19.616	4	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	110.4640	3.668	2	110.4640	13.458	2	111.9620	19.616	4	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	111.9608	4.808	4	111.9608	23.120	4	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	106.0205	0.346	2	106.0205	0.120	2	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	113.2305	2.897	2	113.2305	8.393	2	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	113.3835	6.929	2	114.0867	23.185	8	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	114.0315	5.126	2	114.0867	23.185	8	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	114.4660	5.368	4	114.0867	23.185	8	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	112.1830	7.075	2	112.1830	50.060	2	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	112.8580	2.986	14	112.8580	8.915	14	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	110.0890	0.000	1	110.0890	0.000	1	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	109.7030	0.181	2	109.7030	0.033	2	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	110.6925	1.064	2	110.6925	1.133	2	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.5925	2.347	2	110.0222	1.588	10	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	110.1296	1.090	8	110.0222	1.588	10	111.7983	12.960	47	111.7377	13.125	52	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.6825	2.832	4	111.6825	8.020	4	111.6825	8.020	4	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.9210	1.643	2	108.9210	2.700	2	108.9210	2.700	2	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	109.3305	1.746	2	109.3305	3.048	2	109.3305	3.048	2	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.2280	0.000	1	110.2280	0.000	1	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	108.1205	1.372	2	107.8182	2.135	6	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	108.1910	2.659	2	107.8182	2.135	6	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.1430	0.593	2	107.8182	2.135	6	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	108.6620	0.000	1	108.6620	0.000	1	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O){5|C<4>}	105.6420	0.000	1	105.6420	0.000	1	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	110.3800	0.000	1	110.3800	0.000	1	108.1821	3.019	10	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.2467	1.197	4	108.4693	1.577	12	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.5805	1.350	8	108.4693	1.577	12	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O){2|H<1>,3|C<4>}	108.8480	3.306	2	108.8480	10.932	2	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[5,6,6]CC)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.5160	1.766	2	107.5160	3.120	2	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	109.1230	3.018	2	109.1230	9.108	2	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|Cr<9>,2|C<4>,2|H<1>}	108.3030	0.000	1	108.3030	0.000	1	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	109.4270	2.746	5	108.7843	8.510	6	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	105.5710	0.000	1	108.7843	8.510	6	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	106.7800	0.000	1	106.7800	0.000	1	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|Cl<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O){2|C<4>,3|H<1>}	107.5620	0.704	2	107.5620	0.496	2	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	106.9575	1.330	2	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	106.6890	3.253	2	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	109.0285	0.378	2	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.4638	1.917	33	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	107.4272	1.635	6	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	106.8945	4.280	2	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.5333	1.886	6	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	107.8200	3.746	2	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.8814	1.689	70	107.7484	3.280	125	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	105.5340	0.000	1	105.5340	0.000	1	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	108.1920	2.146	6	108.1920	4.603	6	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	109.7910	0.000	1	109.7910	0.000	1	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	108.5175	1.979	4	108.5175	3.917	4	107.8946	3.381	165	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O){2|H<1>,4|C<4>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	107.7215	1.138	2	107.7215	1.294	2	108.4481	3.059	8	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.1810	0.301	2	108.1810	0.091	2	108.4481	3.059	8	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	108.9450	2.438	4	108.9450	5.946	4	108.4481	3.059	8	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|H<1>,4|C<4>}	107.8270	0.000	1	107.8270	0.000	1	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|O<2>,2|C<4>,2|H<1>}	106.2260	2.327	4	106.6615	6.647	8	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|H<1>,3|C<4>}	107.0970	3.097	4	106.6615	6.647	8	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.8665	0.689	2	108.8665	0.475	2	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	110.5800	1.358	2	110.5800	1.843	2	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	105.4770	0.000	1	105.4770	0.000	1	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	110.2260	0.000	1	110.2260	0.000	1	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	108.5140	0.793	2	108.5140	0.629	2	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	106.9425	3.498	2	106.9425	12.236	2	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	108.0830	0.000	1	108.0830	0.000	1	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	110.2370	0.000	1	110.2370	0.000	1	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	110.2817	0.458	3	110.2817	0.210	3	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,3|C<3>,3|H<1>}	108.0915	1.967	4	108.0915	3.869	4	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	109.6805	0.916	2	109.1295	2.157	4	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|Cl<1>,1|C<4>,3|H<1>}	108.5785	2.102	2	109.1295	2.157	4	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	108.9755	6.048	2	108.8812	10.409	30	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	108.6008	1.800	6	108.8812	10.409	30	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	108.9491	3.440	22	108.8812	10.409	30	108.5664	7.451	62	108.1725	4.605	254	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	109.3200	0.000	1	109.3200	0.000	1	109.5096	2.625	7	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	110.1145	1.351	2	109.5602	1.868	4	109.5096	2.625	7	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	109.0060	1.597	2	109.5602	1.868	4	109.5096	2.625	7	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2{3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN){1|C<4>,2|H<1>,2|O<2>}	109.5030	3.178	2	109.5030	10.098	2	109.5096	2.625	7	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC){1|C<4>,4|H<1>}	110.4655	0.777	14	110.4655	0.604	14	110.4655	0.604	14	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	109.1820	7.005	2	109.1820	49.064	2	110.1492	12.528	6	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	110.4805	1.003	2	110.4805	1.007	2	110.1492	12.528	6	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|C<4>,1|O<2>,3|H<1>}	110.7850	3.110	2	110.7850	9.671	2	110.1492	12.528	6	110.1474	3.481	27	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CH3)2{3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH){3|H<1>,5|C<4>}	111.6685	1.176	2	111.6685	1.383	2	111.6685	1.383	2	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH){1|O<2>,2|C<4>,2|H<1>}	110.8345	3.962	2	110.8345	15.697	2	110.8345	15.697	2	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH){1|O<2>,2|C<4>,2|H<1>}	109.7115	2.457	2	109.7115	6.038	2	109.7115	6.038	2	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|N<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl){1|H<1>,1|S<4>,2|C<4>}	111.6810	6.531	2	111.6810	42.652	2	111.4523	7.193	17	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH){1|H<1>,2|C<4>,2|O<2>}	113.3330	2.584	4	113.3330	6.677	4	111.4523	7.193	17	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH){1|O<2>,2|C<4>,2|H<1>}	108.9770	0.000	1	108.9770	0.000	1	111.4523	7.193	17	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]O[6]CC)(CCH){1|C<3>,2|H<1>}	109.4920	0.150	2	109.4920	0.022	2	111.4523	7.193	17	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(CZrC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)2(CZrC){1|C<4>,4|H<1>}	111.2542	1.852	8	111.2542	3.428	8	111.4523	7.193	17	111.2660	6.560	23	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:2:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:2:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(CH3){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]C)(CC)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.2780	0.326	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:2:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.2780	0.326	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:2:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	108.2780	0.326	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	2:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3){4|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	3:4:1:	C[6]-4:C[6]-3:C-4:S-4:	C[6]-4:C-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	C(C[6]C[6]2S)(CCH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O){1|C<4>,1|H<1>,2|C<3>}	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	108.6220	1.353	2	108.6220	1.832	2	108.6220	1.832	2	107.9957	1.378	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	107.9957	1.378	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	106.7955	1.281	2	106.7955	1.640	2	107.5503	1.525	4	107.9957	1.378	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(COO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(COO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	107.7320	0.000	1	107.7320	0.000	1	107.5503	1.525	4	107.9957	1.378	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCC)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCC)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	108.8780	0.000	1	108.8780	0.000	1	107.5503	1.525	4	107.9957	1.378	7	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	108.0050	0.000	1	108.0050	0.000	1	109.4490	6.139	3	109.4490	6.139	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:1:1:	4:4:2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	110.1710	3.025	2	110.1710	9.151	2	109.4490	6.139	3	109.4490	6.139	3	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:3:2:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3){1|S<4>,3|C<3>}	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	111.3243	0.655	3	111.3243	0.429	3	111.3243	0.429	3	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(I)	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(I){1|O<2>,2|C<4>,2|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	106.9140	0.923	2	106.9140	0.853	2	108.0819	2.997	7	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	106.3630	0.000	1	106.3630	0.000	1	108.0819	2.997	7	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CC[5a]CH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	109.4915	1.522	2	109.4915	2.318	2	108.0819	2.997	7	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	108.6995	2.095	2	108.6995	4.390	2	108.0819	2.997	7	109.2651	4.102	13	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	111.2650	0.000	1	111.2650	0.000	1	110.1890	2.316	2	110.3750	1.659	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	109.1130	0.000	1	109.1130	0.000	1	110.1890	2.316	2	110.3750	1.659	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	111.6840	0.000	1	111.6840	0.000	1	110.5610	2.522	2	110.3750	1.659	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	109.4380	0.000	1	109.4380	0.000	1	110.5610	2.522	2	110.3750	1.659	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:4:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	111.0900	1.594	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	111.8155	1.617	2	111.8155	2.615	2	111.3903	1.850	3	111.0900	1.594	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	110.5400	0.000	1	110.5400	0.000	1	111.3903	1.850	3	111.0900	1.594	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O){5|C<4>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|Cr<9>,2|C<4>,2|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.1298	0.042	6	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	109.1440	0.227	5	109.1440	0.052	5	109.1298	0.042	6	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O){2|H<1>,4|C<4>}	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|H<1>,4|C<4>}	107.2300	0.000	1	107.2300	0.000	1	106.2628	7.680	5	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	110.6570	0.000	1	110.6570	0.000	1	106.2628	7.680	5	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	104.4757	0.669	3	104.4757	0.448	3	106.2628	7.680	5	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:S-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	108.5560	0.000	2	108.5560	0.000	2	108.5560	0.000	2	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	109.8920	0.209	2	109.7250	0.052	4	109.7250	0.052	4	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	109.5580	0.000	2	109.7250	0.052	4	109.7250	0.052	4	108.4639	3.962	19	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	111.9435	0.005	2	111.9435	0.000	2	111.9435	0.000	2	111.9435	0.000	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3)	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHO)(CH3){3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCo2C)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	107.2048	0.512	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	107.2570	0.867	3	107.2570	0.752	3	107.2570	0.752	3	107.2048	0.512	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:2:1:	4:4:3:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(CHH){1|O<2>,2|C<4>,2|H<1>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH)	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CCl2H)(CCCH){3|C<4>}	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:3:4:4:	4:4:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C(C[6]C[3,6]C[6]C)(CH3)3	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(CH3)3	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	3:3:4:1:	4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|Fe<7>,1|C<4>,2|H<1>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	3:4:3:1:	4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](C[6]C[6]CH)2(O)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	3:4:4:1:	4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.7040	0.492	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	3:4:4:1:	4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	111.7040	0.492	2	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[6]-4:C-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	111.6340	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:3:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	C(C[6]C[6]2P[6])(H)3	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH)	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2P[6])(H)3	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH){1|H<1>,2|C<3>,2|O<1>,2|O<2>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	107.2160	0.000	1	107.2160	0.000	1	106.5063	3.978	3	106.3900	2.706	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	104.2540	0.000	1	106.1515	7.201	2	106.5063	3.978	3	106.3900	2.706	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	108.0490	0.000	1	106.1515	7.201	2	106.5063	3.978	3	106.3900	2.706	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	106.0410	0.000	1	106.0410	0.000	1	106.0410	0.000	1	106.3900	2.706	4	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[5]C[6]2)(H)3	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	C(C[6]C[5]C[6]2)(H)3	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613
466	490	762	0:SP3_SP2_SP3	C[6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6]C[6]3)(CCH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[6]C[6]3)(CCH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	109.9819	7.502	4719	109.7953	7.466	6613